USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 509 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 ASN : amide:sc= 0.123 X(o=-0.084,f=-0.22) USER MOD Set 1.2: A 80 SER OG : rot 100:sc= -0.207 USER MOD Set 2.1: A 68 SER OG : rot 85:sc= 0.586 USER MOD Set 2.2: A 71 SER OG : rot 61:sc= 0.543 USER MOD Set 3.1: A 49 TYR OH : rot 120:sc= -0.251 USER MOD Set 3.2: A 53 ASN : amide:sc= 0 X(o=-0.25,f=-0.25) USER MOD Set 4.1: A 13 ASN : amide:sc= -0.415 K(o=1.2,f=-2!) USER MOD Set 4.2: A 38 SER OG : rot -112:sc= 1.58 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.051) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -150:sc= 1.42 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -69:sc= 1.25 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.764 USER MOD Single : A 66 TYR OH : rot -58:sc= 0.244! USER MOD Single : A 67 SER OG : rot 56:sc= 1.03 USER MOD Single : A 78 SER OG : rot 180:sc= -0.299 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -4.74! C(o=-4.7!,f=-8.8!) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 -6.505 1.041 -8.386 1.00 43.44 N ATOM 53 CA GLU A 5 -7.955 1.141 -8.270 1.00 22.45 C ATOM 54 C GLU A 5 -8.599 1.329 -9.640 1.00 15.53 C ATOM 55 O GLU A 5 -8.622 2.435 -10.180 1.00 54.24 O ATOM 56 CB GLU A 5 -8.336 2.302 -7.350 1.00 12.43 C ATOM 57 CG GLU A 5 -7.484 3.544 -7.552 1.00 21.11 C ATOM 58 CD GLU A 5 -6.420 3.702 -6.483 1.00 34.14 C ATOM 59 OE1 GLU A 5 -6.703 3.374 -5.311 1.00 43.13 O ATOM 60 OE2 GLU A 5 -5.305 4.153 -6.818 1.00 13.50 O ATOM 0 HA GLU A 5 -8.325 0.210 -7.840 1.00 22.45 H new ATOM 0 HB2 GLU A 5 -9.382 2.558 -7.517 1.00 12.43 H new ATOM 0 HB3 GLU A 5 -8.249 1.977 -6.313 1.00 12.43 H new ATOM 0 HG2 GLU A 5 -7.006 3.497 -8.531 1.00 21.11 H new ATOM 0 HG3 GLU A 5 -8.126 4.425 -7.553 1.00 21.11 H new ATOM 67 N VAL A 6 -9.122 0.241 -10.196 1.00 51.34 N ATOM 68 CA VAL A 6 -9.768 0.286 -11.503 1.00 23.11 C ATOM 69 C VAL A 6 -11.202 -0.224 -11.425 1.00 14.25 C ATOM 70 O VAL A 6 -11.444 -1.431 -11.435 1.00 31.25 O ATOM 71 CB VAL A 6 -8.994 -0.549 -12.540 1.00 63.22 C ATOM 72 CG1 VAL A 6 -9.830 -0.752 -13.794 1.00 52.44 C ATOM 73 CG2 VAL A 6 -7.667 0.115 -12.876 1.00 10.34 C ATOM 0 H VAL A 6 -9.111 -0.682 -9.762 1.00 51.34 H new ATOM 0 HA VAL A 6 -9.773 1.330 -11.818 1.00 23.11 H new ATOM 0 HB VAL A 6 -8.785 -1.528 -12.109 1.00 63.22 H new ATOM 0 HG11 VAL A 6 -9.266 -1.344 -14.515 1.00 52.44 H new ATOM 0 HG12 VAL A 6 -10.751 -1.274 -13.536 1.00 52.44 H new ATOM 0 HG13 VAL A 6 -10.072 0.217 -14.231 1.00 52.44 H new ATOM 0 HG21 VAL A 6 -7.134 -0.489 -13.610 1.00 10.34 H new ATOM 0 HG22 VAL A 6 -7.851 1.108 -13.287 1.00 10.34 H new ATOM 0 HG23 VAL A 6 -7.065 0.203 -11.972 1.00 10.34 H new ATOM 83 N ILE A 7 -12.151 0.704 -11.347 1.00 65.21 N ATOM 84 CA ILE A 7 -13.562 0.348 -11.269 1.00 1.12 C ATOM 85 C ILE A 7 -14.285 0.679 -12.570 1.00 32.11 C ATOM 86 O ILE A 7 -14.200 1.799 -13.073 1.00 45.20 O ATOM 87 CB ILE A 7 -14.262 1.076 -10.106 1.00 72.30 C ATOM 88 CG1 ILE A 7 -15.722 0.629 -10.002 1.00 0.44 C ATOM 89 CG2 ILE A 7 -14.176 2.583 -10.295 1.00 63.25 C ATOM 90 CD1 ILE A 7 -16.451 1.221 -8.816 1.00 55.30 C ATOM 0 H ILE A 7 -11.968 1.707 -11.336 1.00 65.21 H new ATOM 0 HA ILE A 7 -13.608 -0.727 -11.094 1.00 1.12 H new ATOM 0 HB ILE A 7 -13.755 0.817 -9.177 1.00 72.30 H new ATOM 0 HG12 ILE A 7 -16.245 0.908 -10.916 1.00 0.44 H new ATOM 0 HG13 ILE A 7 -15.757 -0.458 -9.934 1.00 0.44 H new ATOM 0 HG21 ILE A 7 -14.675 3.083 -9.465 1.00 63.25 H new ATOM 0 HG22 ILE A 7 -13.130 2.887 -10.325 1.00 63.25 H new ATOM 0 HG23 ILE A 7 -14.661 2.861 -11.231 1.00 63.25 H new ATOM 0 HD11 ILE A 7 -17.480 0.861 -8.805 1.00 55.30 H new ATOM 0 HD12 ILE A 7 -15.952 0.921 -7.895 1.00 55.30 H new ATOM 0 HD13 ILE A 7 -16.448 2.308 -8.893 1.00 55.30 H new ATOM 102 N VAL A 8 -15.000 -0.304 -13.110 1.00 3.43 N ATOM 103 CA VAL A 8 -15.741 -0.117 -14.351 1.00 52.41 C ATOM 104 C VAL A 8 -17.138 -0.719 -14.253 1.00 13.13 C ATOM 105 O VAL A 8 -17.400 -1.572 -13.404 1.00 3.31 O ATOM 106 CB VAL A 8 -15.004 -0.750 -15.546 1.00 10.00 C ATOM 107 CG1 VAL A 8 -13.656 -0.078 -15.759 1.00 20.32 C ATOM 108 CG2 VAL A 8 -14.836 -2.247 -15.335 1.00 23.01 C ATOM 0 H VAL A 8 -15.081 -1.237 -12.707 1.00 3.43 H new ATOM 0 HA VAL A 8 -15.822 0.958 -14.512 1.00 52.41 H new ATOM 0 HB VAL A 8 -15.604 -0.598 -16.443 1.00 10.00 H new ATOM 0 HG11 VAL A 8 -13.150 -0.539 -16.607 1.00 20.32 H new ATOM 0 HG12 VAL A 8 -13.806 0.983 -15.958 1.00 20.32 H new ATOM 0 HG13 VAL A 8 -13.045 -0.196 -14.864 1.00 20.32 H new ATOM 0 HG21 VAL A 8 -14.313 -2.678 -16.189 1.00 23.01 H new ATOM 0 HG22 VAL A 8 -14.258 -2.424 -14.428 1.00 23.01 H new ATOM 0 HG23 VAL A 8 -15.817 -2.713 -15.237 1.00 23.01 H new ATOM 118 N TYR A 9 -18.033 -0.270 -15.126 1.00 64.24 N ATOM 119 CA TYR A 9 -19.405 -0.763 -15.137 1.00 63.42 C ATOM 120 C TYR A 9 -19.784 -1.287 -16.519 1.00 34.42 C ATOM 121 O TYR A 9 -19.510 -0.648 -17.534 1.00 3.15 O ATOM 122 CB TYR A 9 -20.371 0.346 -14.717 1.00 23.52 C ATOM 123 CG TYR A 9 -20.267 0.717 -13.255 1.00 3.21 C ATOM 124 CD1 TYR A 9 -19.096 1.257 -12.737 1.00 23.11 C ATOM 125 CD2 TYR A 9 -21.339 0.528 -12.392 1.00 24.25 C ATOM 126 CE1 TYR A 9 -18.996 1.597 -11.402 1.00 3.33 C ATOM 127 CE2 TYR A 9 -21.248 0.867 -11.055 1.00 71.24 C ATOM 128 CZ TYR A 9 -20.075 1.401 -10.565 1.00 64.12 C ATOM 129 OH TYR A 9 -19.980 1.738 -9.235 1.00 10.44 O ATOM 0 H TYR A 9 -17.833 0.435 -15.836 1.00 64.24 H new ATOM 0 HA TYR A 9 -19.475 -1.585 -14.425 1.00 63.42 H new ATOM 0 HB2 TYR A 9 -20.180 1.232 -15.323 1.00 23.52 H new ATOM 0 HB3 TYR A 9 -21.391 0.028 -14.931 1.00 23.52 H new ATOM 0 HD1 TYR A 9 -18.250 1.413 -13.389 1.00 23.11 H new ATOM 0 HD2 TYR A 9 -22.259 0.109 -12.772 1.00 24.25 H new ATOM 0 HE1 TYR A 9 -18.078 2.014 -11.015 1.00 3.33 H new ATOM 0 HE2 TYR A 9 -22.091 0.714 -10.398 1.00 71.24 H new ATOM 0 HH TYR A 9 -20.828 1.538 -8.785 1.00 10.44 H new ATOM 139 N GLU A 10 -20.418 -2.456 -16.548 1.00 14.52 N ATOM 140 CA GLU A 10 -20.836 -3.066 -17.804 1.00 71.14 C ATOM 141 C GLU A 10 -22.286 -2.713 -18.125 1.00 63.53 C ATOM 142 O GLU A 10 -22.984 -3.467 -18.804 1.00 31.20 O ATOM 143 CB GLU A 10 -20.672 -4.586 -17.738 1.00 32.02 C ATOM 144 CG GLU A 10 -21.590 -5.253 -16.727 1.00 62.42 C ATOM 145 CD GLU A 10 -22.828 -5.850 -17.368 1.00 64.43 C ATOM 146 OE1 GLU A 10 -22.719 -6.363 -18.502 1.00 31.10 O ATOM 147 OE2 GLU A 10 -23.904 -5.805 -16.737 1.00 50.22 O ATOM 0 H GLU A 10 -20.653 -2.998 -15.717 1.00 14.52 H new ATOM 0 HA GLU A 10 -20.201 -2.673 -18.598 1.00 71.14 H new ATOM 0 HB2 GLU A 10 -20.865 -5.007 -18.725 1.00 32.02 H new ATOM 0 HB3 GLU A 10 -19.638 -4.821 -17.488 1.00 32.02 H new ATOM 0 HG2 GLU A 10 -21.041 -6.037 -16.206 1.00 62.42 H new ATOM 0 HG3 GLU A 10 -21.891 -4.522 -15.977 1.00 62.42 H new ATOM 154 N HIS A 11 -22.732 -1.563 -17.632 1.00 3.51 N ATOM 155 CA HIS A 11 -24.098 -1.109 -17.866 1.00 11.15 C ATOM 156 C HIS A 11 -24.326 0.268 -17.250 1.00 51.41 C ATOM 157 O HIS A 11 -23.412 0.863 -16.679 1.00 12.33 O ATOM 158 CB HIS A 11 -25.097 -2.111 -17.286 1.00 22.12 C ATOM 159 CG HIS A 11 -25.915 -2.811 -18.326 1.00 75.14 C ATOM 160 ND1 HIS A 11 -26.948 -2.201 -19.007 1.00 60.53 N ATOM 161 CD2 HIS A 11 -25.848 -4.076 -18.803 1.00 21.33 C ATOM 162 CE1 HIS A 11 -27.481 -3.062 -19.856 1.00 52.12 C ATOM 163 NE2 HIS A 11 -26.831 -4.207 -19.752 1.00 74.10 N ATOM 0 H HIS A 11 -22.167 -0.928 -17.068 1.00 3.51 H new ATOM 0 HA HIS A 11 -24.251 -1.036 -18.943 1.00 11.15 H new ATOM 0 HB2 HIS A 11 -24.555 -2.854 -16.701 1.00 22.12 H new ATOM 0 HB3 HIS A 11 -25.765 -1.590 -16.600 1.00 22.12 H new ATOM 0 HD2 HIS A 11 -25.150 -4.840 -18.494 1.00 21.33 H new ATOM 0 HE1 HIS A 11 -28.308 -2.863 -20.522 1.00 52.12 H new ATOM 0 HE2 HIS A 11 -27.028 -5.051 -20.289 1.00 74.10 H new ATOM 171 N VAL A 12 -25.551 0.770 -17.371 1.00 50.24 N ATOM 172 CA VAL A 12 -25.899 2.077 -16.827 1.00 12.10 C ATOM 173 C VAL A 12 -25.755 2.097 -15.309 1.00 64.54 C ATOM 174 O VAL A 12 -25.605 1.052 -14.677 1.00 1.22 O ATOM 175 CB VAL A 12 -27.340 2.475 -17.200 1.00 21.35 C ATOM 176 CG1 VAL A 12 -28.333 1.854 -16.229 1.00 11.42 C ATOM 177 CG2 VAL A 12 -27.484 3.989 -17.228 1.00 20.23 C ATOM 0 H VAL A 12 -26.319 0.291 -17.841 1.00 50.24 H new ATOM 0 HA VAL A 12 -25.206 2.796 -17.264 1.00 12.10 H new ATOM 0 HB VAL A 12 -27.558 2.094 -18.198 1.00 21.35 H new ATOM 0 HG11 VAL A 12 -29.346 2.146 -16.508 1.00 11.42 H new ATOM 0 HG12 VAL A 12 -28.246 0.768 -16.264 1.00 11.42 H new ATOM 0 HG13 VAL A 12 -28.120 2.203 -15.218 1.00 11.42 H new ATOM 0 HG21 VAL A 12 -28.508 4.252 -17.493 1.00 20.23 H new ATOM 0 HG22 VAL A 12 -27.248 4.395 -16.244 1.00 20.23 H new ATOM 0 HG23 VAL A 12 -26.799 4.406 -17.967 1.00 20.23 H new ATOM 187 N ASN A 13 -25.801 3.292 -14.731 1.00 51.43 N ATOM 188 CA ASN A 13 -25.675 3.448 -13.287 1.00 11.42 C ATOM 189 C ASN A 13 -27.021 3.243 -12.598 1.00 61.40 C ATOM 190 O ASN A 13 -27.344 3.925 -11.626 1.00 4.25 O ATOM 191 CB ASN A 13 -25.123 4.835 -12.949 1.00 34.12 C ATOM 192 CG ASN A 13 -23.630 4.938 -13.194 1.00 14.53 C ATOM 193 OD1 ASN A 13 -22.893 3.968 -13.021 1.00 1.04 O ATOM 194 ND2 ASN A 13 -23.178 6.120 -13.598 1.00 60.55 N ATOM 0 H ASN A 13 -25.925 4.167 -15.240 1.00 51.43 H new ATOM 0 HA ASN A 13 -24.981 2.689 -12.924 1.00 11.42 H new ATOM 0 HB2 ASN A 13 -25.639 5.585 -13.548 1.00 34.12 H new ATOM 0 HB3 ASN A 13 -25.334 5.062 -11.904 1.00 34.12 H new ATOM 0 HD21 ASN A 13 -22.183 6.251 -13.778 1.00 60.55 H new ATOM 0 HD22 ASN A 13 -23.826 6.897 -13.728 1.00 60.55 H new ATOM 201 N PHE A 14 -27.802 2.297 -13.109 1.00 31.43 N ATOM 202 CA PHE A 14 -29.113 2.000 -12.544 1.00 14.55 C ATOM 203 C PHE A 14 -29.495 0.544 -12.789 1.00 72.34 C ATOM 204 O PHE A 14 -30.674 0.191 -12.788 1.00 63.33 O ATOM 205 CB PHE A 14 -30.173 2.926 -13.146 1.00 23.22 C ATOM 206 CG PHE A 14 -29.779 4.375 -13.134 1.00 12.30 C ATOM 207 CD1 PHE A 14 -29.890 5.127 -11.976 1.00 12.44 C ATOM 208 CD2 PHE A 14 -29.298 4.986 -14.281 1.00 22.51 C ATOM 209 CE1 PHE A 14 -29.529 6.461 -11.962 1.00 55.53 C ATOM 210 CE2 PHE A 14 -28.935 6.319 -14.274 1.00 11.34 C ATOM 211 CZ PHE A 14 -29.050 7.058 -13.112 1.00 72.13 C ATOM 0 H PHE A 14 -27.550 1.723 -13.913 1.00 31.43 H new ATOM 0 HA PHE A 14 -29.063 2.167 -11.468 1.00 14.55 H new ATOM 0 HB2 PHE A 14 -30.370 2.620 -14.173 1.00 23.22 H new ATOM 0 HB3 PHE A 14 -31.105 2.806 -12.593 1.00 23.22 H new ATOM 0 HD1 PHE A 14 -30.263 4.666 -11.074 1.00 12.44 H new ATOM 0 HD2 PHE A 14 -29.206 4.413 -15.192 1.00 22.51 H new ATOM 0 HE1 PHE A 14 -29.621 7.036 -11.053 1.00 55.53 H new ATOM 0 HE2 PHE A 14 -28.562 6.783 -15.175 1.00 11.34 H new ATOM 0 HZ PHE A 14 -28.766 8.100 -13.103 1.00 72.13 H new ATOM 221 N GLY A 15 -28.488 -0.298 -13.001 1.00 31.42 N ATOM 222 CA GLY A 15 -28.738 -1.707 -13.246 1.00 42.21 C ATOM 223 C GLY A 15 -27.577 -2.389 -13.943 1.00 52.41 C ATOM 224 O GLY A 15 -27.698 -2.817 -15.090 1.00 43.31 O ATOM 0 H GLY A 15 -27.504 -0.030 -13.007 1.00 31.42 H new ATOM 0 HA2 GLY A 15 -28.934 -2.208 -12.298 1.00 42.21 H new ATOM 0 HA3 GLY A 15 -29.636 -1.813 -13.854 1.00 42.21 H new ATOM 228 N GLY A 16 -26.448 -2.489 -13.249 1.00 3.53 N ATOM 229 CA GLY A 16 -25.276 -3.122 -13.825 1.00 32.30 C ATOM 230 C GLY A 16 -24.272 -3.550 -12.773 1.00 70.12 C ATOM 231 O GLY A 16 -24.333 -3.103 -11.628 1.00 24.35 O ATOM 0 H GLY A 16 -26.324 -2.143 -12.298 1.00 3.53 H new ATOM 0 HA2 GLY A 16 -25.585 -3.993 -14.404 1.00 32.30 H new ATOM 0 HA3 GLY A 16 -24.798 -2.431 -14.519 1.00 32.30 H new ATOM 235 N LYS A 17 -23.346 -4.420 -13.161 1.00 45.12 N ATOM 236 CA LYS A 17 -22.323 -4.910 -12.244 1.00 53.41 C ATOM 237 C LYS A 17 -21.077 -4.032 -12.299 1.00 51.32 C ATOM 238 O LYS A 17 -20.753 -3.463 -13.341 1.00 41.44 O ATOM 239 CB LYS A 17 -21.956 -6.356 -12.582 1.00 72.34 C ATOM 240 CG LYS A 17 -20.929 -6.479 -13.695 1.00 32.14 C ATOM 241 CD LYS A 17 -19.542 -6.762 -13.144 1.00 4.33 C ATOM 242 CE LYS A 17 -19.465 -8.141 -12.507 1.00 0.21 C ATOM 243 NZ LYS A 17 -18.743 -8.111 -11.205 1.00 22.31 N ATOM 0 H LYS A 17 -23.283 -4.801 -14.105 1.00 45.12 H new ATOM 0 HA LYS A 17 -22.729 -4.871 -11.233 1.00 53.41 H new ATOM 0 HB2 LYS A 17 -21.569 -6.843 -11.687 1.00 72.34 H new ATOM 0 HB3 LYS A 17 -22.859 -6.893 -12.872 1.00 72.34 H new ATOM 0 HG2 LYS A 17 -21.222 -7.279 -14.375 1.00 32.14 H new ATOM 0 HG3 LYS A 17 -20.909 -5.558 -14.277 1.00 32.14 H new ATOM 0 HD2 LYS A 17 -18.809 -6.690 -13.947 1.00 4.33 H new ATOM 0 HD3 LYS A 17 -19.281 -6.004 -12.405 1.00 4.33 H new ATOM 0 HE2 LYS A 17 -20.473 -8.527 -12.355 1.00 0.21 H new ATOM 0 HE3 LYS A 17 -18.960 -8.827 -13.187 1.00 0.21 H new ATOM 0 HZ1 LYS A 17 -18.712 -9.070 -10.803 1.00 22.31 H new ATOM 0 HZ2 LYS A 17 -17.773 -7.766 -11.354 1.00 22.31 H new ATOM 0 HZ3 LYS A 17 -19.239 -7.476 -10.548 1.00 22.31 H new ATOM 257 N SER A 18 -20.382 -3.928 -11.171 1.00 43.52 N ATOM 258 CA SER A 18 -19.172 -3.117 -11.091 1.00 52.00 C ATOM 259 C SER A 18 -18.107 -3.813 -10.250 1.00 24.11 C ATOM 260 O SER A 18 -18.414 -4.460 -9.248 1.00 52.34 O ATOM 261 CB SER A 18 -19.491 -1.744 -10.496 1.00 34.20 C ATOM 262 OG SER A 18 -20.772 -1.736 -9.890 1.00 74.30 O ATOM 0 H SER A 18 -20.635 -4.395 -10.300 1.00 43.52 H new ATOM 0 HA SER A 18 -18.785 -2.986 -12.101 1.00 52.00 H new ATOM 0 HB2 SER A 18 -18.734 -1.479 -9.757 1.00 34.20 H new ATOM 0 HB3 SER A 18 -19.451 -0.987 -11.279 1.00 34.20 H new ATOM 0 HG SER A 18 -21.157 -0.837 -9.950 1.00 74.30 H new ATOM 268 N PHE A 19 -16.852 -3.676 -10.665 1.00 5.23 N ATOM 269 CA PHE A 19 -15.739 -4.292 -9.951 1.00 41.22 C ATOM 270 C PHE A 19 -14.524 -3.368 -9.936 1.00 72.35 C ATOM 271 O PHE A 19 -14.043 -2.941 -10.986 1.00 71.01 O ATOM 272 CB PHE A 19 -15.369 -5.629 -10.597 1.00 12.04 C ATOM 273 CG PHE A 19 -15.227 -5.555 -12.090 1.00 3.21 C ATOM 274 CD1 PHE A 19 -16.346 -5.554 -12.907 1.00 11.14 C ATOM 275 CD2 PHE A 19 -13.974 -5.485 -12.677 1.00 64.40 C ATOM 276 CE1 PHE A 19 -16.218 -5.486 -14.281 1.00 64.51 C ATOM 277 CE2 PHE A 19 -13.839 -5.417 -14.051 1.00 20.40 C ATOM 278 CZ PHE A 19 -14.963 -5.417 -14.854 1.00 4.11 C ATOM 0 H PHE A 19 -16.580 -3.144 -11.492 1.00 5.23 H new ATOM 0 HA PHE A 19 -16.053 -4.468 -8.922 1.00 41.22 H new ATOM 0 HB2 PHE A 19 -14.432 -5.983 -10.168 1.00 12.04 H new ATOM 0 HB3 PHE A 19 -16.132 -6.367 -10.349 1.00 12.04 H new ATOM 0 HD1 PHE A 19 -17.330 -5.607 -12.465 1.00 11.14 H new ATOM 0 HD2 PHE A 19 -13.092 -5.484 -12.054 1.00 64.40 H new ATOM 0 HE1 PHE A 19 -17.098 -5.487 -14.907 1.00 64.51 H new ATOM 0 HE2 PHE A 19 -12.856 -5.364 -14.496 1.00 20.40 H new ATOM 0 HZ PHE A 19 -14.861 -5.363 -15.928 1.00 4.11 H new ATOM 461 N ASP A 34 -24.385 -3.186 -26.543 1.00 40.13 N ATOM 462 CA ASP A 34 -23.480 -2.117 -26.137 1.00 12.14 C ATOM 463 C ASP A 34 -24.261 -0.891 -25.674 1.00 40.32 C ATOM 464 O ASP A 34 -24.256 0.148 -26.336 1.00 31.24 O ATOM 465 CB ASP A 34 -22.551 -1.740 -27.291 1.00 43.42 C ATOM 466 CG ASP A 34 -21.233 -2.487 -27.242 1.00 22.45 C ATOM 467 OD1 ASP A 34 -20.766 -2.793 -26.124 1.00 52.24 O ATOM 468 OD2 ASP A 34 -20.668 -2.766 -28.320 1.00 24.41 O ATOM 0 HA ASP A 34 -22.880 -2.480 -25.302 1.00 12.14 H new ATOM 0 HB2 ASP A 34 -23.049 -1.950 -28.238 1.00 43.42 H new ATOM 0 HB3 ASP A 34 -22.359 -0.668 -27.263 1.00 43.42 H new ATOM 473 N LYS A 35 -24.932 -1.018 -24.535 1.00 34.22 N ATOM 474 CA LYS A 35 -25.718 0.079 -23.982 1.00 74.35 C ATOM 475 C LYS A 35 -24.846 1.002 -23.139 1.00 2.52 C ATOM 476 O LYS A 35 -23.645 0.772 -22.990 1.00 14.32 O ATOM 477 CB LYS A 35 -26.869 -0.468 -23.135 1.00 14.22 C ATOM 478 CG LYS A 35 -28.155 -0.677 -23.917 1.00 3.13 C ATOM 479 CD LYS A 35 -27.933 -1.571 -25.125 1.00 32.31 C ATOM 480 CE LYS A 35 -27.697 -0.755 -26.387 1.00 22.34 C ATOM 481 NZ LYS A 35 -28.819 -0.894 -27.355 1.00 71.54 N ATOM 0 H LYS A 35 -24.948 -1.871 -23.976 1.00 34.22 H new ATOM 0 HA LYS A 35 -26.128 0.654 -24.812 1.00 74.35 H new ATOM 0 HB2 LYS A 35 -26.564 -1.417 -22.693 1.00 14.22 H new ATOM 0 HB3 LYS A 35 -27.062 0.220 -22.312 1.00 14.22 H new ATOM 0 HG2 LYS A 35 -28.909 -1.122 -23.267 1.00 3.13 H new ATOM 0 HG3 LYS A 35 -28.544 0.287 -24.243 1.00 3.13 H new ATOM 0 HD2 LYS A 35 -27.077 -2.221 -24.945 1.00 32.31 H new ATOM 0 HD3 LYS A 35 -28.800 -2.217 -25.265 1.00 32.31 H new ATOM 0 HE2 LYS A 35 -27.574 0.295 -26.123 1.00 22.34 H new ATOM 0 HE3 LYS A 35 -26.768 -1.076 -26.859 1.00 22.34 H new ATOM 0 HZ1 LYS A 35 -28.620 -0.323 -28.201 1.00 71.54 H new ATOM 0 HZ2 LYS A 35 -28.921 -1.893 -27.627 1.00 71.54 H new ATOM 0 HZ3 LYS A 35 -29.701 -0.564 -26.914 1.00 71.54 H new ATOM 495 N ILE A 36 -25.457 2.046 -22.588 1.00 43.24 N ATOM 496 CA ILE A 36 -24.735 3.002 -21.758 1.00 12.33 C ATOM 497 C ILE A 36 -23.929 2.292 -20.676 1.00 64.10 C ATOM 498 O ILE A 36 -24.403 1.338 -20.059 1.00 12.53 O ATOM 499 CB ILE A 36 -25.695 4.006 -21.091 1.00 61.41 C ATOM 500 CG1 ILE A 36 -24.942 4.865 -20.073 1.00 54.45 C ATOM 501 CG2 ILE A 36 -26.848 3.272 -20.423 1.00 20.31 C ATOM 502 CD1 ILE A 36 -25.452 6.287 -19.990 1.00 4.32 C ATOM 0 H ILE A 36 -26.450 2.251 -22.702 1.00 43.24 H new ATOM 0 HA ILE A 36 -24.056 3.543 -22.417 1.00 12.33 H new ATOM 0 HB ILE A 36 -26.104 4.662 -21.860 1.00 61.41 H new ATOM 0 HG12 ILE A 36 -25.020 4.401 -19.090 1.00 54.45 H new ATOM 0 HG13 ILE A 36 -23.884 4.881 -20.335 1.00 54.45 H new ATOM 0 HG21 ILE A 36 -27.518 3.994 -19.956 1.00 20.31 H new ATOM 0 HG22 ILE A 36 -27.397 2.699 -21.171 1.00 20.31 H new ATOM 0 HG23 ILE A 36 -26.457 2.596 -19.663 1.00 20.31 H new ATOM 0 HD11 ILE A 36 -24.873 6.839 -19.249 1.00 4.32 H new ATOM 0 HD12 ILE A 36 -25.349 6.768 -20.963 1.00 4.32 H new ATOM 0 HD13 ILE A 36 -26.502 6.280 -19.698 1.00 4.32 H new ATOM 514 N SER A 37 -22.707 2.764 -20.450 1.00 42.15 N ATOM 515 CA SER A 37 -21.833 2.173 -19.444 1.00 45.02 C ATOM 516 C SER A 37 -21.209 3.252 -18.564 1.00 54.53 C ATOM 517 O SER A 37 -21.163 4.424 -18.939 1.00 63.02 O ATOM 518 CB SER A 37 -20.733 1.348 -20.115 1.00 25.01 C ATOM 519 OG SER A 37 -20.828 -0.019 -19.753 1.00 40.14 O ATOM 0 H SER A 37 -22.300 3.554 -20.950 1.00 42.15 H new ATOM 0 HA SER A 37 -22.436 1.519 -18.814 1.00 45.02 H new ATOM 0 HB2 SER A 37 -20.809 1.447 -21.198 1.00 25.01 H new ATOM 0 HB3 SER A 37 -19.756 1.737 -19.827 1.00 25.01 H new ATOM 0 HG SER A 37 -20.593 -0.124 -18.807 1.00 40.14 H new ATOM 525 N SER A 38 -20.732 2.848 -17.392 1.00 3.34 N ATOM 526 CA SER A 38 -20.115 3.780 -16.455 1.00 45.43 C ATOM 527 C SER A 38 -18.635 3.461 -16.266 1.00 63.34 C ATOM 528 O SER A 38 -18.279 2.487 -15.602 1.00 30.10 O ATOM 529 CB SER A 38 -20.835 3.733 -15.106 1.00 65.12 C ATOM 530 OG SER A 38 -19.913 3.819 -14.033 1.00 51.51 O ATOM 0 H SER A 38 -20.761 1.881 -17.068 1.00 3.34 H new ATOM 0 HA SER A 38 -20.202 4.784 -16.870 1.00 45.43 H new ATOM 0 HB2 SER A 38 -21.549 4.554 -15.043 1.00 65.12 H new ATOM 0 HB3 SER A 38 -21.405 2.807 -15.026 1.00 65.12 H new ATOM 0 HG SER A 38 -19.893 2.966 -13.550 1.00 51.51 H new ATOM 536 N ILE A 39 -17.778 4.288 -16.855 1.00 65.54 N ATOM 537 CA ILE A 39 -16.337 4.094 -16.752 1.00 5.24 C ATOM 538 C ILE A 39 -15.689 5.212 -15.941 1.00 61.12 C ATOM 539 O ILE A 39 -15.634 6.361 -16.380 1.00 62.13 O ATOM 540 CB ILE A 39 -15.675 4.033 -18.141 1.00 51.41 C ATOM 541 CG1 ILE A 39 -15.735 2.609 -18.696 1.00 64.14 C ATOM 542 CG2 ILE A 39 -14.235 4.518 -18.064 1.00 30.11 C ATOM 543 CD1 ILE A 39 -17.139 2.053 -18.784 1.00 65.32 C ATOM 0 H ILE A 39 -18.056 5.098 -17.408 1.00 65.54 H new ATOM 0 HA ILE A 39 -16.183 3.142 -16.244 1.00 5.24 H new ATOM 0 HB ILE A 39 -16.222 4.690 -18.817 1.00 51.41 H new ATOM 0 HG12 ILE A 39 -15.285 2.595 -19.689 1.00 64.14 H new ATOM 0 HG13 ILE A 39 -15.133 1.956 -18.064 1.00 64.14 H new ATOM 0 HG21 ILE A 39 -13.781 4.469 -19.054 1.00 30.11 H new ATOM 0 HG22 ILE A 39 -14.216 5.548 -17.707 1.00 30.11 H new ATOM 0 HG23 ILE A 39 -13.674 3.885 -17.376 1.00 30.11 H new ATOM 0 HD11 ILE A 39 -17.105 1.040 -19.186 1.00 65.32 H new ATOM 0 HD12 ILE A 39 -17.586 2.034 -17.790 1.00 65.32 H new ATOM 0 HD13 ILE A 39 -17.740 2.683 -19.440 1.00 65.32 H new ATOM 555 N LYS A 40 -15.198 4.867 -14.756 1.00 4.43 N ATOM 556 CA LYS A 40 -14.550 5.840 -13.883 1.00 70.24 C ATOM 557 C LYS A 40 -13.278 5.261 -13.273 1.00 22.31 C ATOM 558 O LYS A 40 -13.331 4.510 -12.298 1.00 43.43 O ATOM 559 CB LYS A 40 -15.508 6.277 -12.773 1.00 0.11 C ATOM 560 CG LYS A 40 -14.919 7.318 -11.836 1.00 60.34 C ATOM 561 CD LYS A 40 -14.981 6.863 -10.388 1.00 22.02 C ATOM 562 CE LYS A 40 -14.229 7.816 -9.472 1.00 11.53 C ATOM 563 NZ LYS A 40 -15.106 8.910 -8.970 1.00 11.41 N ATOM 0 H LYS A 40 -15.236 3.921 -14.377 1.00 4.43 H new ATOM 0 HA LYS A 40 -14.281 6.708 -14.484 1.00 70.24 H new ATOM 0 HB2 LYS A 40 -16.415 6.679 -13.225 1.00 0.11 H new ATOM 0 HB3 LYS A 40 -15.801 5.402 -12.192 1.00 0.11 H new ATOM 0 HG2 LYS A 40 -13.883 7.514 -12.113 1.00 60.34 H new ATOM 0 HG3 LYS A 40 -15.461 8.257 -11.947 1.00 60.34 H new ATOM 0 HD2 LYS A 40 -16.022 6.797 -10.071 1.00 22.02 H new ATOM 0 HD3 LYS A 40 -14.557 5.863 -10.301 1.00 22.02 H new ATOM 0 HE2 LYS A 40 -13.821 7.261 -8.627 1.00 11.53 H new ATOM 0 HE3 LYS A 40 -13.384 8.246 -10.010 1.00 11.53 H new ATOM 0 HZ1 LYS A 40 -14.557 9.538 -8.349 1.00 11.41 H new ATOM 0 HZ2 LYS A 40 -15.476 9.455 -9.775 1.00 11.41 H new ATOM 0 HZ3 LYS A 40 -15.899 8.502 -8.435 1.00 11.41 H new ATOM 577 N VAL A 41 -12.135 5.615 -13.852 1.00 23.15 N ATOM 578 CA VAL A 41 -10.849 5.132 -13.363 1.00 4.44 C ATOM 579 C VAL A 41 -9.748 6.159 -13.606 1.00 61.44 C ATOM 580 O VAL A 41 -9.799 6.924 -14.570 1.00 22.42 O ATOM 581 CB VAL A 41 -10.455 3.804 -14.035 1.00 60.14 C ATOM 582 CG1 VAL A 41 -9.172 3.257 -13.428 1.00 11.10 C ATOM 583 CG2 VAL A 41 -11.584 2.792 -13.917 1.00 35.14 C ATOM 0 H VAL A 41 -12.073 6.234 -14.660 1.00 23.15 H new ATOM 0 HA VAL A 41 -10.959 4.968 -12.291 1.00 4.44 H new ATOM 0 HB VAL A 41 -10.276 3.992 -15.093 1.00 60.14 H new ATOM 0 HG11 VAL A 41 -8.910 2.318 -13.916 1.00 11.10 H new ATOM 0 HG12 VAL A 41 -8.366 3.977 -13.570 1.00 11.10 H new ATOM 0 HG13 VAL A 41 -9.319 3.083 -12.362 1.00 11.10 H new ATOM 0 HG21 VAL A 41 -11.288 1.859 -14.397 1.00 35.14 H new ATOM 0 HG22 VAL A 41 -11.798 2.606 -12.864 1.00 35.14 H new ATOM 0 HG23 VAL A 41 -12.477 3.184 -14.405 1.00 35.14 H new ATOM 593 N LYS A 42 -8.752 6.170 -12.727 1.00 62.31 N ATOM 594 CA LYS A 42 -7.636 7.100 -12.846 1.00 42.52 C ATOM 595 C LYS A 42 -6.306 6.386 -12.631 1.00 64.51 C ATOM 596 O LYS A 42 -5.796 6.326 -11.512 1.00 40.02 O ATOM 597 CB LYS A 42 -7.784 8.239 -11.835 1.00 13.15 C ATOM 598 CG LYS A 42 -9.159 8.885 -11.843 1.00 70.03 C ATOM 599 CD LYS A 42 -9.063 10.401 -11.814 1.00 1.22 C ATOM 600 CE LYS A 42 -9.007 10.983 -13.218 1.00 11.52 C ATOM 601 NZ LYS A 42 -10.052 12.023 -13.429 1.00 2.51 N ATOM 0 H LYS A 42 -8.695 5.544 -11.923 1.00 62.31 H new ATOM 0 HA LYS A 42 -7.647 7.513 -13.855 1.00 42.52 H new ATOM 0 HB2 LYS A 42 -7.578 7.856 -10.836 1.00 13.15 H new ATOM 0 HB3 LYS A 42 -7.033 9.000 -12.046 1.00 13.15 H new ATOM 0 HG2 LYS A 42 -9.704 8.571 -12.733 1.00 70.03 H new ATOM 0 HG3 LYS A 42 -9.730 8.539 -10.981 1.00 70.03 H new ATOM 0 HD2 LYS A 42 -9.922 10.811 -11.283 1.00 1.22 H new ATOM 0 HD3 LYS A 42 -8.173 10.700 -11.259 1.00 1.22 H new ATOM 0 HE2 LYS A 42 -8.022 11.417 -13.392 1.00 11.52 H new ATOM 0 HE3 LYS A 42 -9.137 10.184 -13.948 1.00 11.52 H new ATOM 0 HZ1 LYS A 42 -9.981 12.395 -14.398 1.00 2.51 H new ATOM 0 HZ2 LYS A 42 -10.993 11.603 -13.288 1.00 2.51 H new ATOM 0 HZ3 LYS A 42 -9.913 12.798 -12.749 1.00 2.51 H new ATOM 615 N SER A 43 -5.748 5.846 -13.710 1.00 61.51 N ATOM 616 CA SER A 43 -4.478 5.133 -13.638 1.00 61.45 C ATOM 617 C SER A 43 -3.903 4.906 -15.033 1.00 44.23 C ATOM 618 O SER A 43 -4.300 3.980 -15.738 1.00 74.22 O ATOM 619 CB SER A 43 -4.661 3.791 -12.926 1.00 52.21 C ATOM 620 OG SER A 43 -3.500 3.440 -12.194 1.00 32.15 O ATOM 0 H SER A 43 -6.155 5.889 -14.644 1.00 61.51 H new ATOM 0 HA SER A 43 -3.778 5.745 -13.070 1.00 61.45 H new ATOM 0 HB2 SER A 43 -5.516 3.847 -12.253 1.00 52.21 H new ATOM 0 HB3 SER A 43 -4.882 3.014 -13.658 1.00 52.21 H new ATOM 0 HG SER A 43 -3.643 2.580 -11.747 1.00 32.15 H new ATOM 626 N GLY A 44 -2.962 5.761 -15.425 1.00 14.00 N ATOM 627 CA GLY A 44 -2.347 5.638 -16.733 1.00 40.45 C ATOM 628 C GLY A 44 -3.368 5.600 -17.853 1.00 70.21 C ATOM 629 O GLY A 44 -4.415 6.244 -17.772 1.00 63.34 O ATOM 0 H GLY A 44 -2.615 6.536 -14.860 1.00 14.00 H new ATOM 0 HA2 GLY A 44 -1.669 6.476 -16.892 1.00 40.45 H new ATOM 0 HA3 GLY A 44 -1.745 4.730 -16.764 1.00 40.45 H new ATOM 633 N THR A 45 -3.064 4.844 -18.904 1.00 30.45 N ATOM 634 CA THR A 45 -3.961 4.726 -20.046 1.00 35.22 C ATOM 635 C THR A 45 -4.451 3.292 -20.215 1.00 10.03 C ATOM 636 O THR A 45 -3.751 2.342 -19.863 1.00 54.14 O ATOM 637 CB THR A 45 -3.275 5.179 -21.348 1.00 74.34 C ATOM 638 OG1 THR A 45 -2.078 4.422 -21.560 1.00 53.03 O ATOM 639 CG2 THR A 45 -2.941 6.662 -21.297 1.00 33.14 C ATOM 0 H THR A 45 -2.203 4.304 -18.987 1.00 30.45 H new ATOM 0 HA THR A 45 -4.813 5.377 -19.847 1.00 35.22 H new ATOM 0 HB THR A 45 -3.965 5.007 -22.174 1.00 74.34 H new ATOM 0 HG1 THR A 45 -1.649 4.715 -22.391 1.00 53.03 H new ATOM 0 HG21 THR A 45 -2.457 6.958 -22.228 1.00 33.14 H new ATOM 0 HG22 THR A 45 -3.858 7.237 -21.165 1.00 33.14 H new ATOM 0 HG23 THR A 45 -2.268 6.855 -20.461 1.00 33.14 H new ATOM 647 N TRP A 46 -5.655 3.143 -20.755 1.00 12.15 N ATOM 648 CA TRP A 46 -6.238 1.823 -20.971 1.00 2.55 C ATOM 649 C TRP A 46 -6.782 1.694 -22.389 1.00 12.32 C ATOM 650 O TRP A 46 -7.076 2.694 -23.044 1.00 12.30 O ATOM 651 CB TRP A 46 -7.354 1.564 -19.957 1.00 64.11 C ATOM 652 CG TRP A 46 -7.339 2.517 -18.801 1.00 12.24 C ATOM 653 CD1 TRP A 46 -6.349 2.663 -17.871 1.00 53.42 C ATOM 654 CD2 TRP A 46 -8.363 3.455 -18.450 1.00 60.32 C ATOM 655 NE1 TRP A 46 -6.696 3.635 -16.964 1.00 11.40 N ATOM 656 CE2 TRP A 46 -7.926 4.137 -17.298 1.00 34.24 C ATOM 657 CE3 TRP A 46 -9.605 3.786 -18.999 1.00 22.12 C ATOM 658 CZ2 TRP A 46 -8.689 5.128 -16.686 1.00 32.12 C ATOM 659 CZ3 TRP A 46 -10.361 4.770 -18.390 1.00 62.42 C ATOM 660 CH2 TRP A 46 -9.901 5.432 -17.244 1.00 70.21 C ATOM 0 H TRP A 46 -6.247 3.919 -21.051 1.00 12.15 H new ATOM 0 HA TRP A 46 -5.453 1.079 -20.834 1.00 2.55 H new ATOM 0 HB2 TRP A 46 -8.317 1.632 -20.462 1.00 64.11 H new ATOM 0 HB3 TRP A 46 -7.263 0.545 -19.580 1.00 64.11 H new ATOM 0 HD1 TRP A 46 -5.429 2.098 -17.852 1.00 53.42 H new ATOM 0 HE1 TRP A 46 -6.129 3.934 -16.170 1.00 11.40 H new ATOM 0 HE3 TRP A 46 -9.967 3.282 -19.883 1.00 22.12 H new ATOM 0 HZ2 TRP A 46 -8.337 5.639 -15.802 1.00 32.12 H new ATOM 0 HZ3 TRP A 46 -11.323 5.033 -18.805 1.00 62.42 H new ATOM 0 HH2 TRP A 46 -10.515 6.197 -16.792 1.00 70.21 H new ATOM 671 N ARG A 47 -6.914 0.458 -22.857 1.00 73.41 N ATOM 672 CA ARG A 47 -7.423 0.199 -24.199 1.00 21.13 C ATOM 673 C ARG A 47 -8.777 -0.502 -24.141 1.00 51.11 C ATOM 674 O ARG A 47 -8.875 -1.652 -23.712 1.00 50.20 O ATOM 675 CB ARG A 47 -6.428 -0.654 -24.988 1.00 74.14 C ATOM 676 CG ARG A 47 -5.086 0.024 -25.211 1.00 14.11 C ATOM 677 CD ARG A 47 -3.998 -0.599 -24.351 1.00 11.24 C ATOM 678 NE ARG A 47 -2.703 -0.604 -25.025 1.00 61.04 N ATOM 679 CZ ARG A 47 -1.916 0.462 -25.113 1.00 42.45 C ATOM 680 NH1 ARG A 47 -2.290 1.613 -24.572 1.00 11.31 N ATOM 681 NH2 ARG A 47 -0.751 0.379 -25.744 1.00 32.31 N ATOM 0 H ARG A 47 -6.676 -0.380 -22.327 1.00 73.41 H new ATOM 0 HA ARG A 47 -7.551 1.157 -24.704 1.00 21.13 H new ATOM 0 HB2 ARG A 47 -6.267 -1.593 -24.458 1.00 74.14 H new ATOM 0 HB3 ARG A 47 -6.864 -0.904 -25.955 1.00 74.14 H new ATOM 0 HG2 ARG A 47 -4.809 -0.052 -26.262 1.00 14.11 H new ATOM 0 HG3 ARG A 47 -5.171 1.086 -24.980 1.00 14.11 H new ATOM 0 HD2 ARG A 47 -3.917 -0.048 -23.414 1.00 11.24 H new ATOM 0 HD3 ARG A 47 -4.278 -1.621 -24.096 1.00 11.24 H new ATOM 0 HE ARG A 47 -2.385 -1.474 -25.452 1.00 61.04 H new ATOM 0 HH11 ARG A 47 -3.184 1.682 -24.086 1.00 11.31 H new ATOM 0 HH12 ARG A 47 -1.683 2.430 -24.641 1.00 11.31 H new ATOM 0 HH21 ARG A 47 -0.459 -0.504 -26.162 1.00 32.31 H new ATOM 0 HH22 ARG A 47 -0.148 1.199 -25.811 1.00 32.31 H new ATOM 695 N PHE A 48 -9.819 0.199 -24.576 1.00 32.15 N ATOM 696 CA PHE A 48 -11.168 -0.355 -24.572 1.00 71.01 C ATOM 697 C PHE A 48 -11.546 -0.876 -25.956 1.00 24.24 C ATOM 698 O PHE A 48 -11.265 -0.237 -26.970 1.00 13.43 O ATOM 699 CB PHE A 48 -12.176 0.704 -24.121 1.00 51.12 C ATOM 700 CG PHE A 48 -12.484 0.652 -22.652 1.00 61.30 C ATOM 701 CD1 PHE A 48 -13.465 -0.197 -22.166 1.00 73.32 C ATOM 702 CD2 PHE A 48 -11.792 1.451 -21.757 1.00 24.03 C ATOM 703 CE1 PHE A 48 -13.751 -0.247 -20.815 1.00 1.31 C ATOM 704 CE2 PHE A 48 -12.073 1.406 -20.404 1.00 64.51 C ATOM 705 CZ PHE A 48 -13.053 0.555 -19.933 1.00 21.34 C ATOM 0 H PHE A 48 -9.755 1.151 -24.936 1.00 32.15 H new ATOM 0 HA PHE A 48 -11.189 -1.189 -23.870 1.00 71.01 H new ATOM 0 HB2 PHE A 48 -11.788 1.692 -24.368 1.00 51.12 H new ATOM 0 HB3 PHE A 48 -13.101 0.576 -24.683 1.00 51.12 H new ATOM 0 HD1 PHE A 48 -14.013 -0.827 -22.851 1.00 73.32 H new ATOM 0 HD2 PHE A 48 -11.024 2.117 -22.120 1.00 24.03 H new ATOM 0 HE1 PHE A 48 -14.519 -0.912 -20.449 1.00 1.31 H new ATOM 0 HE2 PHE A 48 -11.527 2.035 -19.717 1.00 64.51 H new ATOM 0 HZ PHE A 48 -13.274 0.516 -18.876 1.00 21.34 H new ATOM 715 N TYR A 49 -12.182 -2.041 -25.989 1.00 33.54 N ATOM 716 CA TYR A 49 -12.596 -2.651 -27.247 1.00 21.11 C ATOM 717 C TYR A 49 -13.694 -3.685 -27.016 1.00 64.33 C ATOM 718 O TYR A 49 -13.561 -4.568 -26.169 1.00 50.03 O ATOM 719 CB TYR A 49 -11.399 -3.307 -27.938 1.00 11.22 C ATOM 720 CG TYR A 49 -10.437 -3.973 -26.980 1.00 75.41 C ATOM 721 CD1 TYR A 49 -10.693 -5.244 -26.480 1.00 75.55 C ATOM 722 CD2 TYR A 49 -9.274 -3.332 -26.574 1.00 62.11 C ATOM 723 CE1 TYR A 49 -9.818 -5.857 -25.605 1.00 32.33 C ATOM 724 CE2 TYR A 49 -8.392 -3.938 -25.700 1.00 12.10 C ATOM 725 CZ TYR A 49 -8.669 -5.200 -25.218 1.00 21.21 C ATOM 726 OH TYR A 49 -7.794 -5.806 -24.346 1.00 21.52 O ATOM 0 H TYR A 49 -12.422 -2.582 -25.159 1.00 33.54 H new ATOM 0 HA TYR A 49 -12.992 -1.865 -27.890 1.00 21.11 H new ATOM 0 HB2 TYR A 49 -11.762 -4.049 -28.649 1.00 11.22 H new ATOM 0 HB3 TYR A 49 -10.862 -2.551 -28.512 1.00 11.22 H new ATOM 0 HD1 TYR A 49 -11.592 -5.761 -26.781 1.00 75.55 H new ATOM 0 HD2 TYR A 49 -9.055 -2.343 -26.948 1.00 62.11 H new ATOM 0 HE1 TYR A 49 -10.032 -6.845 -25.226 1.00 32.33 H new ATOM 0 HE2 TYR A 49 -7.491 -3.426 -25.396 1.00 12.10 H new ATOM 0 HH TYR A 49 -6.919 -5.903 -24.776 1.00 21.52 H new ATOM 736 N GLU A 50 -14.777 -3.568 -27.777 1.00 72.45 N ATOM 737 CA GLU A 50 -15.898 -4.493 -27.656 1.00 54.24 C ATOM 738 C GLU A 50 -15.726 -5.683 -28.595 1.00 60.15 C ATOM 739 O GLU A 50 -16.490 -5.853 -29.546 1.00 64.32 O ATOM 740 CB GLU A 50 -17.215 -3.775 -27.961 1.00 60.21 C ATOM 741 CG GLU A 50 -17.832 -3.095 -26.751 1.00 3.24 C ATOM 742 CD GLU A 50 -16.834 -2.245 -25.988 1.00 20.25 C ATOM 743 OE1 GLU A 50 -16.090 -2.806 -25.156 1.00 50.30 O ATOM 744 OE2 GLU A 50 -16.797 -1.019 -26.223 1.00 34.12 O ATOM 0 H GLU A 50 -14.902 -2.843 -28.483 1.00 72.45 H new ATOM 0 HA GLU A 50 -15.922 -4.862 -26.631 1.00 54.24 H new ATOM 0 HB2 GLU A 50 -17.041 -3.029 -28.737 1.00 60.21 H new ATOM 0 HB3 GLU A 50 -17.927 -4.495 -28.365 1.00 60.21 H new ATOM 0 HG2 GLU A 50 -18.664 -2.469 -27.075 1.00 3.24 H new ATOM 0 HG3 GLU A 50 -18.244 -3.852 -26.084 1.00 3.24 H new ATOM 751 N TYR A 51 -14.718 -6.503 -28.322 1.00 64.32 N ATOM 752 CA TYR A 51 -14.442 -7.676 -29.144 1.00 31.15 C ATOM 753 C TYR A 51 -13.219 -8.428 -28.627 1.00 42.44 C ATOM 754 O TYR A 51 -12.713 -8.140 -27.542 1.00 64.52 O ATOM 755 CB TYR A 51 -14.224 -7.265 -30.601 1.00 15.44 C ATOM 756 CG TYR A 51 -15.225 -7.872 -31.557 1.00 72.33 C ATOM 757 CD1 TYR A 51 -15.536 -9.225 -31.502 1.00 34.22 C ATOM 758 CD2 TYR A 51 -15.860 -7.093 -32.516 1.00 54.14 C ATOM 759 CE1 TYR A 51 -16.449 -9.785 -32.375 1.00 14.55 C ATOM 760 CE2 TYR A 51 -16.776 -7.643 -33.392 1.00 60.43 C ATOM 761 CZ TYR A 51 -17.067 -8.990 -33.318 1.00 3.32 C ATOM 762 OH TYR A 51 -17.978 -9.543 -34.188 1.00 1.20 O ATOM 0 H TYR A 51 -14.078 -6.378 -27.538 1.00 64.32 H new ATOM 0 HA TYR A 51 -15.305 -8.339 -29.086 1.00 31.15 H new ATOM 0 HB2 TYR A 51 -14.276 -6.179 -30.675 1.00 15.44 H new ATOM 0 HB3 TYR A 51 -13.219 -7.558 -30.906 1.00 15.44 H new ATOM 0 HD1 TYR A 51 -15.056 -9.850 -30.764 1.00 34.22 H new ATOM 0 HD2 TYR A 51 -15.634 -6.039 -32.578 1.00 54.14 H new ATOM 0 HE1 TYR A 51 -16.678 -10.839 -32.319 1.00 14.55 H new ATOM 0 HE2 TYR A 51 -17.262 -7.022 -34.130 1.00 60.43 H new ATOM 0 HH TYR A 51 -18.322 -8.848 -34.787 1.00 1.20 H new ATOM 772 N ILE A 52 -12.749 -9.390 -29.413 1.00 70.44 N ATOM 773 CA ILE A 52 -11.584 -10.182 -29.038 1.00 34.33 C ATOM 774 C ILE A 52 -10.363 -9.295 -28.822 1.00 21.32 C ATOM 775 O ILE A 52 -10.439 -8.075 -28.953 1.00 0.54 O ATOM 776 CB ILE A 52 -11.254 -11.240 -30.107 1.00 71.03 C ATOM 777 CG1 ILE A 52 -11.177 -10.591 -31.491 1.00 32.21 C ATOM 778 CG2 ILE A 52 -12.295 -12.350 -30.094 1.00 3.21 C ATOM 779 CD1 ILE A 52 -10.650 -11.518 -32.564 1.00 41.52 C ATOM 0 H ILE A 52 -13.157 -9.640 -30.314 1.00 70.44 H new ATOM 0 HA ILE A 52 -11.833 -10.687 -28.105 1.00 34.33 H new ATOM 0 HB ILE A 52 -10.283 -11.677 -29.876 1.00 71.03 H new ATOM 0 HG12 ILE A 52 -12.170 -10.245 -31.777 1.00 32.21 H new ATOM 0 HG13 ILE A 52 -10.536 -9.711 -31.436 1.00 32.21 H new ATOM 0 HG21 ILE A 52 -12.048 -13.090 -30.855 1.00 3.21 H new ATOM 0 HG22 ILE A 52 -12.306 -12.827 -29.114 1.00 3.21 H new ATOM 0 HG23 ILE A 52 -13.278 -11.929 -30.303 1.00 3.21 H new ATOM 0 HD11 ILE A 52 -10.623 -10.992 -33.518 1.00 41.52 H new ATOM 0 HD12 ILE A 52 -9.644 -11.845 -32.301 1.00 41.52 H new ATOM 0 HD13 ILE A 52 -11.303 -12.387 -32.647 1.00 41.52 H new ATOM 791 N ASN A 53 -9.237 -9.919 -28.492 1.00 5.12 N ATOM 792 CA ASN A 53 -7.997 -9.186 -28.259 1.00 33.22 C ATOM 793 C ASN A 53 -7.145 -9.143 -29.523 1.00 62.14 C ATOM 794 O ASN A 53 -5.923 -9.011 -29.457 1.00 5.05 O ATOM 795 CB ASN A 53 -7.206 -9.830 -27.119 1.00 31.43 C ATOM 796 CG ASN A 53 -6.706 -8.811 -26.114 1.00 4.30 C ATOM 797 OD1 ASN A 53 -6.054 -7.832 -26.478 1.00 43.04 O ATOM 798 ND2 ASN A 53 -7.009 -9.036 -24.841 1.00 30.40 N ATOM 0 H ASN A 53 -9.157 -10.930 -28.380 1.00 5.12 H new ATOM 0 HA ASN A 53 -8.255 -8.164 -27.981 1.00 33.22 H new ATOM 0 HB2 ASN A 53 -7.836 -10.559 -26.610 1.00 31.43 H new ATOM 0 HB3 ASN A 53 -6.357 -10.375 -27.532 1.00 31.43 H new ATOM 0 HD21 ASN A 53 -6.699 -8.384 -24.120 1.00 30.40 H new ATOM 0 HD22 ASN A 53 -7.552 -9.860 -24.584 1.00 30.40 H new ATOM 805 N TYR A 54 -7.798 -9.255 -30.675 1.00 12.05 N ATOM 806 CA TYR A 54 -7.101 -9.231 -31.955 1.00 3.33 C ATOM 807 C TYR A 54 -8.089 -9.114 -33.111 1.00 43.43 C ATOM 808 O TYR A 54 -7.923 -9.750 -34.151 1.00 34.10 O ATOM 809 CB TYR A 54 -6.251 -10.492 -32.121 1.00 34.14 C ATOM 810 CG TYR A 54 -7.066 -11.762 -32.221 1.00 13.21 C ATOM 811 CD1 TYR A 54 -7.734 -12.271 -31.114 1.00 22.32 C ATOM 812 CD2 TYR A 54 -7.168 -12.452 -33.422 1.00 60.51 C ATOM 813 CE1 TYR A 54 -8.479 -13.431 -31.200 1.00 61.44 C ATOM 814 CE2 TYR A 54 -7.912 -13.612 -33.518 1.00 60.43 C ATOM 815 CZ TYR A 54 -8.565 -14.098 -32.405 1.00 14.12 C ATOM 816 OH TYR A 54 -9.306 -15.254 -32.496 1.00 53.12 O ATOM 0 H TYR A 54 -8.810 -9.363 -30.748 1.00 12.05 H new ATOM 0 HA TYR A 54 -6.449 -8.358 -31.968 1.00 3.33 H new ATOM 0 HB2 TYR A 54 -5.638 -10.392 -33.017 1.00 34.14 H new ATOM 0 HB3 TYR A 54 -5.568 -10.574 -31.275 1.00 34.14 H new ATOM 0 HD1 TYR A 54 -7.670 -11.751 -30.170 1.00 22.32 H new ATOM 0 HD2 TYR A 54 -6.657 -12.075 -34.296 1.00 60.51 H new ATOM 0 HE1 TYR A 54 -8.991 -13.814 -30.329 1.00 61.44 H new ATOM 0 HE2 TYR A 54 -7.982 -14.136 -34.460 1.00 60.43 H new ATOM 0 HH TYR A 54 -9.264 -15.598 -33.413 1.00 53.12 H new ATOM 826 N GLY A 55 -9.118 -8.293 -32.921 1.00 63.04 N ATOM 827 CA GLY A 55 -10.118 -8.106 -33.956 1.00 42.41 C ATOM 828 C GLY A 55 -11.359 -7.403 -33.443 1.00 3.15 C ATOM 829 O GLY A 55 -12.434 -7.996 -33.377 1.00 34.31 O ATOM 0 H GLY A 55 -9.277 -7.755 -32.069 1.00 63.04 H new ATOM 0 HA2 GLY A 55 -9.687 -7.526 -34.773 1.00 42.41 H new ATOM 0 HA3 GLY A 55 -10.397 -9.076 -34.367 1.00 42.41 H new ATOM 833 N GLY A 56 -11.209 -6.134 -33.075 1.00 53.43 N ATOM 834 CA GLY A 56 -12.335 -5.371 -32.568 1.00 4.23 C ATOM 835 C GLY A 56 -12.108 -3.875 -32.655 1.00 44.33 C ATOM 836 O GLY A 56 -11.102 -3.424 -33.204 1.00 51.22 O ATOM 0 H GLY A 56 -10.328 -5.621 -33.119 1.00 53.43 H new ATOM 0 HA2 GLY A 56 -13.231 -5.633 -33.132 1.00 4.23 H new ATOM 0 HA3 GLY A 56 -12.519 -5.648 -31.530 1.00 4.23 H new ATOM 840 N ARG A 57 -13.045 -3.103 -32.115 1.00 2.13 N ATOM 841 CA ARG A 57 -12.944 -1.649 -32.137 1.00 5.31 C ATOM 842 C ARG A 57 -11.990 -1.153 -31.054 1.00 24.52 C ATOM 843 O ARG A 57 -12.335 -1.127 -29.872 1.00 74.34 O ATOM 844 CB ARG A 57 -14.323 -1.017 -31.944 1.00 34.01 C ATOM 845 CG ARG A 57 -14.277 0.479 -31.677 1.00 23.52 C ATOM 846 CD ARG A 57 -14.743 0.807 -30.267 1.00 42.52 C ATOM 847 NE ARG A 57 -16.115 0.367 -30.028 1.00 4.53 N ATOM 848 CZ ARG A 57 -17.182 0.992 -30.513 1.00 21.30 C ATOM 849 NH1 ARG A 57 -17.036 2.077 -31.261 1.00 34.03 N ATOM 850 NH2 ARG A 57 -18.398 0.530 -30.251 1.00 51.21 N ATOM 0 H ARG A 57 -13.883 -3.460 -31.657 1.00 2.13 H new ATOM 0 HA ARG A 57 -12.549 -1.353 -33.109 1.00 5.31 H new ATOM 0 HB2 ARG A 57 -14.925 -1.200 -32.834 1.00 34.01 H new ATOM 0 HB3 ARG A 57 -14.826 -1.510 -31.112 1.00 34.01 H new ATOM 0 HG2 ARG A 57 -13.260 0.844 -31.820 1.00 23.52 H new ATOM 0 HG3 ARG A 57 -14.906 0.998 -32.400 1.00 23.52 H new ATOM 0 HD2 ARG A 57 -14.079 0.331 -29.546 1.00 42.52 H new ATOM 0 HD3 ARG A 57 -14.673 1.882 -30.103 1.00 42.52 H new ATOM 0 HE ARG A 57 -16.262 -0.466 -29.458 1.00 4.53 H new ATOM 0 HH11 ARG A 57 -16.103 2.434 -31.465 1.00 34.03 H new ATOM 0 HH12 ARG A 57 -17.857 2.555 -31.632 1.00 34.03 H new ATOM 0 HH21 ARG A 57 -18.514 -0.305 -29.677 1.00 51.21 H new ATOM 0 HH22 ARG A 57 -19.217 1.010 -30.624 1.00 51.21 H new ATOM 864 N TYR A 58 -10.788 -0.762 -31.464 1.00 75.45 N ATOM 865 CA TYR A 58 -9.784 -0.271 -30.529 1.00 45.03 C ATOM 866 C TYR A 58 -10.064 1.177 -30.139 1.00 72.02 C ATOM 867 O TYR A 58 -10.229 2.042 -30.999 1.00 51.22 O ATOM 868 CB TYR A 58 -8.387 -0.384 -31.143 1.00 21.01 C ATOM 869 CG TYR A 58 -7.333 0.403 -30.398 1.00 24.34 C ATOM 870 CD1 TYR A 58 -7.274 0.382 -29.010 1.00 1.43 C ATOM 871 CD2 TYR A 58 -6.394 1.166 -31.082 1.00 32.32 C ATOM 872 CE1 TYR A 58 -6.313 1.100 -28.325 1.00 2.32 C ATOM 873 CE2 TYR A 58 -5.429 1.886 -30.405 1.00 65.43 C ATOM 874 CZ TYR A 58 -5.392 1.850 -29.027 1.00 13.11 C ATOM 875 OH TYR A 58 -4.432 2.566 -28.348 1.00 74.44 O ATOM 0 H TYR A 58 -10.486 -0.776 -32.438 1.00 75.45 H new ATOM 0 HA TYR A 58 -9.830 -0.886 -29.630 1.00 45.03 H new ATOM 0 HB2 TYR A 58 -8.094 -1.434 -31.169 1.00 21.01 H new ATOM 0 HB3 TYR A 58 -8.424 -0.038 -32.176 1.00 21.01 H new ATOM 0 HD1 TYR A 58 -7.992 -0.206 -28.457 1.00 1.43 H new ATOM 0 HD2 TYR A 58 -6.419 1.196 -32.161 1.00 32.32 H new ATOM 0 HE1 TYR A 58 -6.283 1.074 -27.246 1.00 2.32 H new ATOM 0 HE2 TYR A 58 -4.707 2.474 -30.952 1.00 65.43 H new ATOM 0 HH TYR A 58 -3.862 3.039 -28.990 1.00 74.44 H new ATOM 885 N TRP A 59 -10.116 1.432 -28.837 1.00 11.20 N ATOM 886 CA TRP A 59 -10.376 2.775 -28.331 1.00 50.33 C ATOM 887 C TRP A 59 -9.790 2.954 -26.935 1.00 51.22 C ATOM 888 O TRP A 59 -10.362 2.492 -25.948 1.00 32.20 O ATOM 889 CB TRP A 59 -11.880 3.051 -28.306 1.00 34.54 C ATOM 890 CG TRP A 59 -12.276 4.098 -27.310 1.00 4.35 C ATOM 891 CD1 TRP A 59 -11.856 5.397 -27.276 1.00 42.53 C ATOM 892 CD2 TRP A 59 -13.168 3.935 -26.202 1.00 22.52 C ATOM 893 NE1 TRP A 59 -12.433 6.051 -26.215 1.00 12.25 N ATOM 894 CE2 TRP A 59 -13.243 5.176 -25.540 1.00 70.03 C ATOM 895 CE3 TRP A 59 -13.912 2.861 -25.706 1.00 20.15 C ATOM 896 CZ2 TRP A 59 -14.032 5.370 -24.409 1.00 65.23 C ATOM 897 CZ3 TRP A 59 -14.694 3.055 -24.583 1.00 22.13 C ATOM 898 CH2 TRP A 59 -14.749 4.301 -23.945 1.00 55.41 C ATOM 0 H TRP A 59 -9.982 0.727 -28.112 1.00 11.20 H new ATOM 0 HA TRP A 59 -9.894 3.488 -29.000 1.00 50.33 H new ATOM 0 HB2 TRP A 59 -12.201 3.365 -29.299 1.00 34.54 H new ATOM 0 HB3 TRP A 59 -12.408 2.125 -28.078 1.00 34.54 H new ATOM 0 HD1 TRP A 59 -11.170 5.845 -27.980 1.00 42.53 H new ATOM 0 HE1 TRP A 59 -12.283 7.030 -25.969 1.00 12.25 H new ATOM 0 HE3 TRP A 59 -13.877 1.897 -26.191 1.00 20.15 H new ATOM 0 HZ2 TRP A 59 -14.076 6.330 -23.916 1.00 65.23 H new ATOM 0 HZ3 TRP A 59 -15.273 2.232 -24.191 1.00 22.13 H new ATOM 0 HH2 TRP A 59 -15.370 4.420 -23.069 1.00 55.41 H new ATOM 909 N ASP A 60 -8.647 3.627 -26.860 1.00 14.53 N ATOM 910 CA ASP A 60 -7.985 3.868 -25.583 1.00 42.41 C ATOM 911 C ASP A 60 -8.258 5.285 -25.088 1.00 43.31 C ATOM 912 O ASP A 60 -8.632 6.165 -25.865 1.00 64.23 O ATOM 913 CB ASP A 60 -6.478 3.643 -25.716 1.00 21.42 C ATOM 914 CG ASP A 60 -5.852 4.523 -26.780 1.00 30.13 C ATOM 915 OD1 ASP A 60 -6.251 4.406 -27.957 1.00 74.04 O ATOM 916 OD2 ASP A 60 -4.963 5.329 -26.435 1.00 15.34 O ATOM 0 H ASP A 60 -8.160 4.015 -27.668 1.00 14.53 H new ATOM 0 HA ASP A 60 -8.387 3.164 -24.854 1.00 42.41 H new ATOM 0 HB2 ASP A 60 -5.998 3.840 -24.757 1.00 21.42 H new ATOM 0 HB3 ASP A 60 -6.290 2.597 -25.957 1.00 21.42 H new ATOM 921 N LEU A 61 -8.070 5.500 -23.791 1.00 23.53 N ATOM 922 CA LEU A 61 -8.297 6.810 -23.191 1.00 24.22 C ATOM 923 C LEU A 61 -7.491 6.967 -21.905 1.00 43.24 C ATOM 924 O LEU A 61 -7.066 5.982 -21.302 1.00 52.53 O ATOM 925 CB LEU A 61 -9.785 7.009 -22.901 1.00 32.15 C ATOM 926 CG LEU A 61 -10.326 6.308 -21.654 1.00 24.52 C ATOM 927 CD1 LEU A 61 -10.839 7.327 -20.648 1.00 72.55 C ATOM 928 CD2 LEU A 61 -11.425 5.325 -22.029 1.00 72.21 C ATOM 0 H LEU A 61 -7.761 4.784 -23.134 1.00 23.53 H new ATOM 0 HA LEU A 61 -7.967 7.569 -23.900 1.00 24.22 H new ATOM 0 HB2 LEU A 61 -9.976 8.078 -22.804 1.00 32.15 H new ATOM 0 HB3 LEU A 61 -10.353 6.661 -23.764 1.00 32.15 H new ATOM 0 HG LEU A 61 -9.511 5.751 -21.192 1.00 24.52 H new ATOM 0 HD11 LEU A 61 -11.220 6.809 -19.768 1.00 72.55 H new ATOM 0 HD12 LEU A 61 -10.025 7.991 -20.355 1.00 72.55 H new ATOM 0 HD13 LEU A 61 -11.640 7.912 -21.099 1.00 72.55 H new ATOM 0 HD21 LEU A 61 -11.798 4.836 -21.129 1.00 72.21 H new ATOM 0 HD22 LEU A 61 -12.241 5.860 -22.516 1.00 72.21 H new ATOM 0 HD23 LEU A 61 -11.025 4.575 -22.711 1.00 72.21 H new ATOM 940 N GLY A 62 -7.285 8.214 -21.490 1.00 73.43 N ATOM 941 CA GLY A 62 -6.533 8.477 -20.278 1.00 2.13 C ATOM 942 C GLY A 62 -7.365 8.286 -19.026 1.00 35.15 C ATOM 943 O GLY A 62 -8.447 7.699 -19.057 1.00 54.13 O ATOM 0 H GLY A 62 -7.626 9.046 -21.972 1.00 73.43 H new ATOM 0 HA2 GLY A 62 -5.668 7.815 -20.240 1.00 2.13 H new ATOM 0 HA3 GLY A 62 -6.152 9.498 -20.305 1.00 2.13 H new ATOM 947 N PRO A 63 -6.858 8.788 -17.890 1.00 63.21 N ATOM 948 CA PRO A 63 -7.545 8.680 -16.600 1.00 13.41 C ATOM 949 C PRO A 63 -8.680 9.690 -16.462 1.00 4.12 C ATOM 950 O PRO A 63 -8.446 10.869 -16.200 1.00 44.35 O ATOM 951 CB PRO A 63 -6.440 8.976 -15.583 1.00 62.51 C ATOM 952 CG PRO A 63 -5.467 9.830 -16.319 1.00 44.21 C ATOM 953 CD PRO A 63 -5.573 9.499 -17.778 1.00 53.34 C ATOM 0 HA PRO A 63 -8.014 7.705 -16.468 1.00 13.41 H new ATOM 0 HB2 PRO A 63 -6.835 9.491 -14.707 1.00 62.51 H new ATOM 0 HB3 PRO A 63 -5.972 8.058 -15.229 1.00 62.51 H new ATOM 0 HG2 PRO A 63 -5.682 10.885 -16.151 1.00 44.21 H new ATOM 0 HG3 PRO A 63 -4.454 9.650 -15.960 1.00 44.21 H new ATOM 0 HD2 PRO A 63 -5.560 10.399 -18.393 1.00 53.34 H new ATOM 0 HD3 PRO A 63 -4.742 8.875 -18.107 1.00 53.34 H new ATOM 961 N GLY A 64 -9.910 9.219 -16.639 1.00 33.03 N ATOM 962 CA GLY A 64 -11.063 10.094 -16.529 1.00 44.44 C ATOM 963 C GLY A 64 -12.367 9.327 -16.445 1.00 54.51 C ATOM 964 O GLY A 64 -12.428 8.152 -16.804 1.00 44.12 O ATOM 0 H GLY A 64 -10.129 8.247 -16.857 1.00 33.03 H new ATOM 0 HA2 GLY A 64 -10.956 10.721 -15.644 1.00 44.44 H new ATOM 0 HA3 GLY A 64 -11.092 10.761 -17.390 1.00 44.44 H new ATOM 968 N GLU A 65 -13.414 9.994 -15.968 1.00 30.24 N ATOM 969 CA GLU A 65 -14.723 9.365 -15.835 1.00 51.32 C ATOM 970 C GLU A 65 -15.668 9.840 -16.935 1.00 14.31 C ATOM 971 O GLU A 65 -15.626 11.000 -17.347 1.00 64.44 O ATOM 972 CB GLU A 65 -15.325 9.673 -14.462 1.00 43.13 C ATOM 973 CG GLU A 65 -16.746 9.165 -14.293 1.00 35.40 C ATOM 974 CD GLU A 65 -17.779 10.268 -14.419 1.00 74.54 C ATOM 975 OE1 GLU A 65 -17.675 11.265 -13.675 1.00 35.11 O ATOM 976 OE2 GLU A 65 -18.691 10.134 -15.262 1.00 32.51 O ATOM 0 H GLU A 65 -13.381 10.968 -15.668 1.00 30.24 H new ATOM 0 HA GLU A 65 -14.592 8.287 -15.932 1.00 51.32 H new ATOM 0 HB2 GLU A 65 -14.695 9.229 -13.691 1.00 43.13 H new ATOM 0 HB3 GLU A 65 -15.312 10.751 -14.303 1.00 43.13 H new ATOM 0 HG2 GLU A 65 -16.945 8.399 -15.042 1.00 35.40 H new ATOM 0 HG3 GLU A 65 -16.844 8.690 -13.317 1.00 35.40 H new ATOM 983 N TYR A 66 -16.520 8.936 -17.405 1.00 54.44 N ATOM 984 CA TYR A 66 -17.474 9.261 -18.459 1.00 74.02 C ATOM 985 C TYR A 66 -18.627 8.261 -18.478 1.00 1.55 C ATOM 986 O TYR A 66 -18.516 7.159 -17.942 1.00 22.13 O ATOM 987 CB TYR A 66 -16.777 9.277 -19.820 1.00 62.14 C ATOM 988 CG TYR A 66 -17.016 8.028 -20.638 1.00 22.41 C ATOM 989 CD1 TYR A 66 -16.278 6.873 -20.411 1.00 24.24 C ATOM 990 CD2 TYR A 66 -17.981 8.002 -21.637 1.00 41.04 C ATOM 991 CE1 TYR A 66 -16.492 5.730 -21.156 1.00 32.43 C ATOM 992 CE2 TYR A 66 -18.203 6.863 -22.386 1.00 74.25 C ATOM 993 CZ TYR A 66 -17.456 5.729 -22.142 1.00 52.42 C ATOM 994 OH TYR A 66 -17.674 4.592 -22.886 1.00 1.13 O ATOM 0 H TYR A 66 -16.570 7.973 -17.073 1.00 54.44 H new ATOM 0 HA TYR A 66 -17.879 10.252 -18.254 1.00 74.02 H new ATOM 0 HB2 TYR A 66 -17.122 10.143 -20.385 1.00 62.14 H new ATOM 0 HB3 TYR A 66 -15.705 9.402 -19.668 1.00 62.14 H new ATOM 0 HD1 TYR A 66 -15.524 6.869 -19.638 1.00 24.24 H new ATOM 0 HD2 TYR A 66 -18.568 8.888 -21.831 1.00 41.04 H new ATOM 0 HE1 TYR A 66 -15.907 4.842 -20.967 1.00 32.43 H new ATOM 0 HE2 TYR A 66 -18.957 6.860 -23.159 1.00 74.25 H new ATOM 0 HH TYR A 66 -16.843 4.331 -23.335 1.00 1.13 H new ATOM 1004 N SER A 67 -19.734 8.656 -19.099 1.00 22.10 N ATOM 1005 CA SER A 67 -20.909 7.797 -19.186 1.00 11.15 C ATOM 1006 C SER A 67 -21.806 8.219 -20.345 1.00 50.13 C ATOM 1007 O SER A 67 -22.821 8.888 -20.148 1.00 63.35 O ATOM 1008 CB SER A 67 -21.697 7.841 -17.875 1.00 3.23 C ATOM 1009 OG SER A 67 -22.216 9.138 -17.635 1.00 23.21 O ATOM 0 H SER A 67 -19.842 9.565 -19.549 1.00 22.10 H new ATOM 0 HA SER A 67 -20.570 6.777 -19.364 1.00 11.15 H new ATOM 0 HB2 SER A 67 -22.514 7.120 -17.914 1.00 3.23 H new ATOM 0 HB3 SER A 67 -21.051 7.546 -17.048 1.00 3.23 H new ATOM 0 HG SER A 67 -22.760 9.419 -18.400 1.00 23.21 H new ATOM 1015 N SER A 68 -21.424 7.823 -21.555 1.00 45.42 N ATOM 1016 CA SER A 68 -22.190 8.163 -22.748 1.00 41.24 C ATOM 1017 C SER A 68 -23.353 7.195 -22.941 1.00 61.40 C ATOM 1018 O SER A 68 -23.520 6.246 -22.174 1.00 11.52 O ATOM 1019 CB SER A 68 -21.287 8.145 -23.983 1.00 5.01 C ATOM 1020 OG SER A 68 -20.234 9.085 -23.858 1.00 43.32 O ATOM 0 H SER A 68 -20.588 7.266 -21.735 1.00 45.42 H new ATOM 0 HA SER A 68 -22.593 9.167 -22.616 1.00 41.24 H new ATOM 0 HB2 SER A 68 -20.873 7.146 -24.120 1.00 5.01 H new ATOM 0 HB3 SER A 68 -21.876 8.370 -24.872 1.00 5.01 H new ATOM 0 HG SER A 68 -19.495 8.683 -23.355 1.00 43.32 H new ATOM 1026 N VAL A 69 -24.155 7.441 -23.972 1.00 72.30 N ATOM 1027 CA VAL A 69 -25.302 6.591 -24.268 1.00 35.02 C ATOM 1028 C VAL A 69 -25.616 6.590 -25.760 1.00 3.32 C ATOM 1029 O VAL A 69 -26.737 6.289 -26.168 1.00 24.40 O ATOM 1030 CB VAL A 69 -26.553 7.046 -23.492 1.00 41.21 C ATOM 1031 CG1 VAL A 69 -27.110 8.332 -24.084 1.00 70.20 C ATOM 1032 CG2 VAL A 69 -27.607 5.949 -23.491 1.00 10.54 C ATOM 0 H VAL A 69 -24.031 8.222 -24.616 1.00 72.30 H new ATOM 0 HA VAL A 69 -25.036 5.581 -23.955 1.00 35.02 H new ATOM 0 HB VAL A 69 -26.267 7.244 -22.459 1.00 41.21 H new ATOM 0 HG11 VAL A 69 -27.993 8.638 -23.523 1.00 70.20 H new ATOM 0 HG12 VAL A 69 -26.355 9.116 -24.027 1.00 70.20 H new ATOM 0 HG13 VAL A 69 -27.382 8.165 -25.126 1.00 70.20 H new ATOM 0 HG21 VAL A 69 -28.484 6.287 -22.939 1.00 10.54 H new ATOM 0 HG22 VAL A 69 -27.892 5.717 -24.517 1.00 10.54 H new ATOM 0 HG23 VAL A 69 -27.202 5.055 -23.016 1.00 10.54 H new ATOM 1042 N GLU A 70 -24.617 6.930 -26.569 1.00 30.12 N ATOM 1043 CA GLU A 70 -24.787 6.969 -28.017 1.00 20.55 C ATOM 1044 C GLU A 70 -23.515 7.460 -28.701 1.00 25.32 C ATOM 1045 O GLU A 70 -23.241 7.112 -29.850 1.00 12.43 O ATOM 1046 CB GLU A 70 -25.962 7.874 -28.390 1.00 53.23 C ATOM 1047 CG GLU A 70 -25.993 9.182 -27.617 1.00 32.31 C ATOM 1048 CD GLU A 70 -26.838 10.242 -28.297 1.00 31.35 C ATOM 1049 OE1 GLU A 70 -27.333 9.981 -29.413 1.00 31.02 O ATOM 1050 OE2 GLU A 70 -27.004 11.332 -27.711 1.00 51.41 O ATOM 0 H GLU A 70 -23.683 7.182 -26.247 1.00 30.12 H new ATOM 0 HA GLU A 70 -24.995 5.956 -28.360 1.00 20.55 H new ATOM 0 HB2 GLU A 70 -25.916 8.093 -29.457 1.00 53.23 H new ATOM 0 HB3 GLU A 70 -26.894 7.336 -28.215 1.00 53.23 H new ATOM 0 HG2 GLU A 70 -26.383 8.999 -26.616 1.00 32.31 H new ATOM 0 HG3 GLU A 70 -24.975 9.554 -27.499 1.00 32.31 H new ATOM 1057 N SER A 71 -22.740 8.270 -27.986 1.00 55.22 N ATOM 1058 CA SER A 71 -21.499 8.813 -28.525 1.00 51.31 C ATOM 1059 C SER A 71 -20.322 7.897 -28.206 1.00 5.34 C ATOM 1060 O SER A 71 -19.166 8.318 -28.242 1.00 2.54 O ATOM 1061 CB SER A 71 -21.241 10.211 -27.959 1.00 21.11 C ATOM 1062 OG SER A 71 -20.360 10.157 -26.850 1.00 14.21 O ATOM 0 H SER A 71 -22.950 8.564 -27.032 1.00 55.22 H new ATOM 0 HA SER A 71 -21.601 8.881 -29.608 1.00 51.31 H new ATOM 0 HB2 SER A 71 -20.816 10.848 -28.735 1.00 21.11 H new ATOM 0 HB3 SER A 71 -22.185 10.664 -27.656 1.00 21.11 H new ATOM 0 HG SER A 71 -19.499 9.786 -27.134 1.00 14.21 H new ATOM 1068 N ALA A 72 -20.625 6.642 -27.893 1.00 23.31 N ATOM 1069 CA ALA A 72 -19.593 5.665 -27.569 1.00 24.31 C ATOM 1070 C ALA A 72 -19.782 4.381 -28.369 1.00 65.44 C ATOM 1071 O ALA A 72 -19.295 3.319 -27.982 1.00 50.03 O ATOM 1072 CB ALA A 72 -19.599 5.365 -26.077 1.00 74.22 C ATOM 0 H ALA A 72 -21.577 6.278 -27.857 1.00 23.31 H new ATOM 0 HA ALA A 72 -18.627 6.092 -27.839 1.00 24.31 H new ATOM 0 HB1 ALA A 72 -18.823 4.634 -25.850 1.00 74.22 H new ATOM 0 HB2 ALA A 72 -19.407 6.282 -25.521 1.00 74.22 H new ATOM 0 HB3 ALA A 72 -20.571 4.964 -25.791 1.00 74.22 H new ATOM 1078 N GLY A 73 -20.492 4.485 -29.488 1.00 54.12 N ATOM 1079 CA GLY A 73 -20.734 3.324 -30.325 1.00 4.20 C ATOM 1080 C GLY A 73 -21.625 2.300 -29.652 1.00 73.40 C ATOM 1081 O GLY A 73 -21.314 1.815 -28.564 1.00 4.33 O ATOM 0 H GLY A 73 -20.904 5.353 -29.830 1.00 54.12 H new ATOM 0 HA2 GLY A 73 -21.195 3.644 -31.260 1.00 4.20 H new ATOM 0 HA3 GLY A 73 -19.782 2.860 -30.581 1.00 4.20 H new ATOM 1085 N ILE A 74 -22.738 1.970 -30.299 1.00 61.12 N ATOM 1086 CA ILE A 74 -23.677 0.997 -29.756 1.00 34.02 C ATOM 1087 C ILE A 74 -23.880 -0.169 -30.718 1.00 3.40 C ATOM 1088 O ILE A 74 -24.976 -0.402 -31.228 1.00 43.21 O ATOM 1089 CB ILE A 74 -25.043 1.641 -29.453 1.00 52.33 C ATOM 1090 CG1 ILE A 74 -24.853 2.975 -28.729 1.00 1.52 C ATOM 1091 CG2 ILE A 74 -25.901 0.699 -28.622 1.00 71.25 C ATOM 1092 CD1 ILE A 74 -24.166 2.842 -27.388 1.00 2.31 C ATOM 0 H ILE A 74 -23.011 2.362 -31.200 1.00 61.12 H new ATOM 0 HA ILE A 74 -23.244 0.627 -28.827 1.00 34.02 H new ATOM 0 HB ILE A 74 -25.555 1.830 -30.396 1.00 52.33 H new ATOM 0 HG12 ILE A 74 -24.269 3.643 -29.362 1.00 1.52 H new ATOM 0 HG13 ILE A 74 -25.827 3.443 -28.584 1.00 1.52 H new ATOM 0 HG21 ILE A 74 -26.863 1.169 -28.416 1.00 71.25 H new ATOM 0 HG22 ILE A 74 -26.060 -0.229 -29.172 1.00 71.25 H new ATOM 0 HG23 ILE A 74 -25.395 0.481 -27.681 1.00 71.25 H new ATOM 0 HD11 ILE A 74 -24.065 3.827 -26.932 1.00 2.31 H new ATOM 0 HD12 ILE A 74 -24.759 2.200 -26.737 1.00 2.31 H new ATOM 0 HD13 ILE A 74 -23.178 2.403 -27.527 1.00 2.31 H new ATOM 1104 N PRO A 75 -22.799 -0.921 -30.972 1.00 4.22 N ATOM 1105 CA PRO A 75 -22.832 -2.077 -31.872 1.00 53.04 C ATOM 1106 C PRO A 75 -23.327 -3.340 -31.176 1.00 24.12 C ATOM 1107 O PRO A 75 -24.351 -3.908 -31.554 1.00 32.40 O ATOM 1108 CB PRO A 75 -21.371 -2.238 -32.298 1.00 23.03 C ATOM 1109 CG PRO A 75 -20.748 -0.912 -32.024 1.00 74.35 C ATOM 1110 CD PRO A 75 -21.460 -0.701 -30.399 1.00 11.23 C ATOM 0 HA PRO A 75 -23.518 -1.925 -32.705 1.00 53.04 H new ATOM 0 HB2 PRO A 75 -20.879 -3.031 -31.734 1.00 23.03 H new ATOM 0 HB3 PRO A 75 -21.293 -2.502 -33.353 1.00 23.03 H new ATOM 0 HG2 PRO A 75 -19.658 -0.938 -32.020 1.00 74.35 H new ATOM 0 HG3 PRO A 75 -21.046 -0.138 -32.732 1.00 74.35 H new ATOM 0 HD2 PRO A 75 -21.148 -1.439 -29.660 1.00 11.23 H new ATOM 0 HD3 PRO A 75 -21.306 0.281 -29.953 1.00 11.23 H new ATOM 1118 N ASP A 76 -22.593 -3.774 -30.157 1.00 1.10 N ATOM 1119 CA ASP A 76 -22.958 -4.970 -29.406 1.00 40.33 C ATOM 1120 C ASP A 76 -21.938 -5.255 -28.308 1.00 42.34 C ATOM 1121 O ASP A 76 -20.739 -5.344 -28.570 1.00 31.13 O ATOM 1122 CB ASP A 76 -23.066 -6.173 -30.344 1.00 33.21 C ATOM 1123 CG ASP A 76 -24.418 -6.855 -30.257 1.00 25.22 C ATOM 1124 OD1 ASP A 76 -24.825 -7.223 -29.135 1.00 63.23 O ATOM 1125 OD2 ASP A 76 -25.067 -7.022 -31.310 1.00 55.33 O ATOM 0 H ASP A 76 -21.742 -3.316 -29.832 1.00 1.10 H new ATOM 0 HA ASP A 76 -23.927 -4.795 -28.939 1.00 40.33 H new ATOM 0 HB2 ASP A 76 -22.892 -5.847 -31.370 1.00 33.21 H new ATOM 0 HB3 ASP A 76 -22.283 -6.892 -30.100 1.00 33.21 H new ATOM 1130 N ASN A 77 -22.423 -5.395 -27.079 1.00 22.20 N ATOM 1131 CA ASN A 77 -21.553 -5.668 -25.941 1.00 21.33 C ATOM 1132 C ASN A 77 -21.133 -7.135 -25.917 1.00 0.24 C ATOM 1133 O ASN A 77 -21.389 -7.848 -24.947 1.00 23.52 O ATOM 1134 CB ASN A 77 -22.261 -5.307 -24.633 1.00 64.22 C ATOM 1135 CG ASN A 77 -21.289 -5.103 -23.487 1.00 43.42 C ATOM 1136 OD1 ASN A 77 -20.829 -3.988 -23.240 1.00 10.41 O ATOM 1137 ND2 ASN A 77 -20.971 -6.182 -22.781 1.00 40.43 N ATOM 0 H ASN A 77 -23.413 -5.324 -26.846 1.00 22.20 H new ATOM 0 HA ASN A 77 -20.658 -5.054 -26.044 1.00 21.33 H new ATOM 0 HB2 ASN A 77 -22.844 -4.397 -24.778 1.00 64.22 H new ATOM 0 HB3 ASN A 77 -22.964 -6.098 -24.373 1.00 64.22 H new ATOM 0 HD21 ASN A 77 -20.321 -6.106 -21.998 1.00 40.43 H new ATOM 0 HD22 ASN A 77 -21.377 -7.087 -23.021 1.00 40.43 H new ATOM 1144 N SER A 78 -20.486 -7.577 -26.990 1.00 75.43 N ATOM 1145 CA SER A 78 -20.034 -8.960 -27.094 1.00 45.42 C ATOM 1146 C SER A 78 -18.516 -9.045 -26.963 1.00 20.33 C ATOM 1147 O SER A 78 -17.783 -8.303 -27.616 1.00 44.15 O ATOM 1148 CB SER A 78 -20.476 -9.565 -28.428 1.00 12.33 C ATOM 1149 OG SER A 78 -19.976 -10.881 -28.581 1.00 65.55 O ATOM 0 H SER A 78 -20.263 -6.998 -27.800 1.00 75.43 H new ATOM 0 HA SER A 78 -20.485 -9.526 -26.279 1.00 45.42 H new ATOM 0 HB2 SER A 78 -21.565 -9.578 -28.482 1.00 12.33 H new ATOM 0 HB3 SER A 78 -20.123 -8.941 -29.249 1.00 12.33 H new ATOM 0 HG SER A 78 -20.274 -11.246 -29.440 1.00 65.55 H new ATOM 1155 N ILE A 79 -18.053 -9.956 -26.113 1.00 44.31 N ATOM 1156 CA ILE A 79 -16.623 -10.140 -25.896 1.00 50.31 C ATOM 1157 C ILE A 79 -15.934 -8.809 -25.615 1.00 1.15 C ATOM 1158 O ILE A 79 -14.902 -8.495 -26.207 1.00 43.03 O ATOM 1159 CB ILE A 79 -15.950 -10.806 -27.111 1.00 35.44 C ATOM 1160 CG1 ILE A 79 -16.812 -11.960 -27.629 1.00 11.31 C ATOM 1161 CG2 ILE A 79 -14.560 -11.301 -26.741 1.00 33.43 C ATOM 1162 CD1 ILE A 79 -16.227 -12.655 -28.839 1.00 15.53 C ATOM 0 H ILE A 79 -18.647 -10.578 -25.564 1.00 44.31 H new ATOM 0 HA ILE A 79 -16.517 -10.792 -25.029 1.00 50.31 H new ATOM 0 HB ILE A 79 -15.851 -10.066 -27.905 1.00 35.44 H new ATOM 0 HG12 ILE A 79 -16.946 -12.690 -26.830 1.00 11.31 H new ATOM 0 HG13 ILE A 79 -17.801 -11.579 -27.882 1.00 11.31 H new ATOM 0 HG21 ILE A 79 -14.097 -11.769 -27.610 1.00 33.43 H new ATOM 0 HG22 ILE A 79 -13.949 -10.460 -26.414 1.00 33.43 H new ATOM 0 HG23 ILE A 79 -14.636 -12.030 -25.934 1.00 33.43 H new ATOM 0 HD11 ILE A 79 -16.890 -13.462 -29.151 1.00 15.53 H new ATOM 0 HD12 ILE A 79 -16.119 -11.938 -29.653 1.00 15.53 H new ATOM 0 HD13 ILE A 79 -15.250 -13.066 -28.585 1.00 15.53 H new ATOM 1174 N SER A 80 -16.511 -8.031 -24.705 1.00 11.44 N ATOM 1175 CA SER A 80 -15.954 -6.732 -24.345 1.00 42.02 C ATOM 1176 C SER A 80 -14.822 -6.888 -23.334 1.00 42.32 C ATOM 1177 O SER A 80 -15.010 -7.454 -22.258 1.00 23.14 O ATOM 1178 CB SER A 80 -17.045 -5.826 -23.771 1.00 21.43 C ATOM 1179 OG SER A 80 -18.175 -5.784 -24.625 1.00 22.42 O ATOM 0 H SER A 80 -17.364 -8.278 -24.203 1.00 11.44 H new ATOM 0 HA SER A 80 -15.551 -6.274 -25.248 1.00 42.02 H new ATOM 0 HB2 SER A 80 -17.342 -6.188 -22.787 1.00 21.43 H new ATOM 0 HB3 SER A 80 -16.651 -4.819 -23.634 1.00 21.43 H new ATOM 0 HG SER A 80 -18.867 -6.386 -24.281 1.00 22.42 H new ATOM 1185 N SER A 81 -13.646 -6.380 -23.689 1.00 64.55 N ATOM 1186 CA SER A 81 -12.481 -6.466 -22.816 1.00 51.10 C ATOM 1187 C SER A 81 -11.666 -5.177 -22.870 1.00 62.42 C ATOM 1188 O SER A 81 -11.676 -4.464 -23.874 1.00 30.42 O ATOM 1189 CB SER A 81 -11.604 -7.655 -23.215 1.00 14.45 C ATOM 1190 OG SER A 81 -11.600 -8.647 -22.203 1.00 4.34 O ATOM 0 H SER A 81 -13.475 -5.905 -24.575 1.00 64.55 H new ATOM 0 HA SER A 81 -12.833 -6.611 -21.795 1.00 51.10 H new ATOM 0 HB2 SER A 81 -11.970 -8.084 -24.148 1.00 14.45 H new ATOM 0 HB3 SER A 81 -10.585 -7.314 -23.399 1.00 14.45 H new ATOM 0 HG SER A 81 -11.034 -9.397 -22.482 1.00 4.34 H new ATOM 1196 N PHE A 82 -10.960 -4.885 -21.783 1.00 20.32 N ATOM 1197 CA PHE A 82 -10.139 -3.682 -21.704 1.00 72.55 C ATOM 1198 C PHE A 82 -8.977 -3.879 -20.735 1.00 73.11 C ATOM 1199 O PHE A 82 -9.160 -4.371 -19.622 1.00 35.05 O ATOM 1200 CB PHE A 82 -10.988 -2.488 -21.265 1.00 12.20 C ATOM 1201 CG PHE A 82 -11.380 -2.532 -19.816 1.00 13.12 C ATOM 1202 CD1 PHE A 82 -12.208 -3.535 -19.339 1.00 32.43 C ATOM 1203 CD2 PHE A 82 -10.921 -1.570 -18.930 1.00 62.35 C ATOM 1204 CE1 PHE A 82 -12.571 -3.578 -18.006 1.00 11.42 C ATOM 1205 CE2 PHE A 82 -11.280 -1.608 -17.596 1.00 50.43 C ATOM 1206 CZ PHE A 82 -12.106 -2.613 -17.133 1.00 65.43 C ATOM 0 H PHE A 82 -10.940 -5.465 -20.944 1.00 20.32 H new ATOM 0 HA PHE A 82 -9.732 -3.484 -22.696 1.00 72.55 H new ATOM 0 HB2 PHE A 82 -10.434 -1.569 -21.456 1.00 12.20 H new ATOM 0 HB3 PHE A 82 -11.890 -2.449 -21.876 1.00 12.20 H new ATOM 0 HD1 PHE A 82 -12.574 -4.292 -20.017 1.00 32.43 H new ATOM 0 HD2 PHE A 82 -10.275 -0.781 -19.286 1.00 62.35 H new ATOM 0 HE1 PHE A 82 -13.218 -4.365 -17.647 1.00 11.42 H new ATOM 0 HE2 PHE A 82 -10.915 -0.852 -16.916 1.00 50.43 H new ATOM 0 HZ PHE A 82 -12.388 -2.645 -16.091 1.00 65.43 H new ATOM 1216 N ARG A 83 -7.782 -3.492 -21.168 1.00 2.25 N ATOM 1217 CA ARG A 83 -6.589 -3.627 -20.340 1.00 13.33 C ATOM 1218 C ARG A 83 -6.027 -2.258 -19.968 1.00 55.53 C ATOM 1219 O ARG A 83 -5.867 -1.389 -20.826 1.00 22.35 O ATOM 1220 CB ARG A 83 -5.524 -4.445 -21.072 1.00 33.42 C ATOM 1221 CG ARG A 83 -6.057 -5.732 -21.682 1.00 13.54 C ATOM 1222 CD ARG A 83 -5.289 -6.945 -21.182 1.00 34.14 C ATOM 1223 NE ARG A 83 -4.076 -7.184 -21.959 1.00 12.42 N ATOM 1224 CZ ARG A 83 -3.371 -8.307 -21.894 1.00 24.23 C ATOM 1225 NH1 ARG A 83 -3.756 -9.290 -21.092 1.00 22.23 N ATOM 1226 NH2 ARG A 83 -2.277 -8.449 -22.632 1.00 74.33 N ATOM 0 H ARG A 83 -7.614 -3.083 -22.087 1.00 2.25 H new ATOM 0 HA ARG A 83 -6.871 -4.146 -19.424 1.00 13.33 H new ATOM 0 HB2 ARG A 83 -5.086 -3.833 -21.861 1.00 33.42 H new ATOM 0 HB3 ARG A 83 -4.722 -4.688 -20.375 1.00 33.42 H new ATOM 0 HG2 ARG A 83 -7.113 -5.842 -21.436 1.00 13.54 H new ATOM 0 HG3 ARG A 83 -5.986 -5.678 -22.768 1.00 13.54 H new ATOM 0 HD2 ARG A 83 -5.026 -6.800 -20.134 1.00 34.14 H new ATOM 0 HD3 ARG A 83 -5.930 -7.825 -21.231 1.00 34.14 H new ATOM 0 HE ARG A 83 -3.753 -6.448 -22.586 1.00 12.42 H new ATOM 0 HH11 ARG A 83 -4.596 -9.185 -20.523 1.00 22.23 H new ATOM 0 HH12 ARG A 83 -3.212 -10.152 -21.044 1.00 22.23 H new ATOM 0 HH21 ARG A 83 -1.977 -7.695 -23.250 1.00 74.33 H new ATOM 0 HH22 ARG A 83 -1.736 -9.312 -22.581 1.00 74.33 H new ATOM 1240 N GLN A 84 -5.732 -2.073 -18.686 1.00 22.03 N ATOM 1241 CA GLN A 84 -5.189 -0.809 -18.201 1.00 74.15 C ATOM 1242 C GLN A 84 -3.666 -0.859 -18.138 1.00 34.10 C ATOM 1243 O GLN A 84 -3.074 -1.935 -18.052 1.00 32.32 O ATOM 1244 CB GLN A 84 -5.759 -0.481 -16.820 1.00 63.41 C ATOM 1245 CG GLN A 84 -7.261 -0.692 -16.715 1.00 44.04 C ATOM 1246 CD GLN A 84 -7.621 -1.983 -16.007 1.00 0.21 C ATOM 1247 OE1 GLN A 84 -7.274 -2.183 -14.843 1.00 23.33 O ATOM 1248 NE2 GLN A 84 -8.322 -2.867 -16.707 1.00 63.11 N ATOM 0 H GLN A 84 -5.860 -2.782 -17.964 1.00 22.03 H new ATOM 0 HA GLN A 84 -5.479 -0.025 -18.901 1.00 74.15 H new ATOM 0 HB2 GLN A 84 -5.261 -1.100 -16.074 1.00 63.41 H new ATOM 0 HB3 GLN A 84 -5.529 0.557 -16.578 1.00 63.41 H new ATOM 0 HG2 GLN A 84 -7.705 0.147 -16.180 1.00 44.04 H new ATOM 0 HG3 GLN A 84 -7.694 -0.698 -17.715 1.00 44.04 H new ATOM 0 HE21 GLN A 84 -8.588 -2.660 -17.670 1.00 63.11 H new ATOM 0 HE22 GLN A 84 -8.594 -3.753 -16.282 1.00 63.11 H new ATOM 1257 N ILE A 85 -3.039 0.311 -18.182 1.00 3.24 N ATOM 1258 CA ILE A 85 -1.585 0.400 -18.128 1.00 42.23 C ATOM 1259 C ILE A 85 -1.132 1.348 -17.023 1.00 32.03 C ATOM 1260 O ILE A 85 -1.170 2.562 -17.217 1.00 63.12 O ATOM 1261 CB ILE A 85 -1.000 0.879 -19.470 1.00 75.24 C ATOM 1262 CG1 ILE A 85 -1.680 0.155 -20.635 1.00 13.14 C ATOM 1263 CG2 ILE A 85 0.503 0.652 -19.504 1.00 65.23 C ATOM 1264 CD1 ILE A 85 -1.567 -1.351 -20.558 1.00 73.43 C ATOM 0 H ILE A 85 -3.515 1.210 -18.255 1.00 3.24 H new ATOM 0 HA ILE A 85 -1.216 -0.604 -17.917 1.00 42.23 H new ATOM 0 HB ILE A 85 -1.189 1.948 -19.571 1.00 75.24 H new ATOM 0 HG12 ILE A 85 -2.734 0.432 -20.659 1.00 13.14 H new ATOM 0 HG13 ILE A 85 -1.240 0.497 -21.572 1.00 13.14 H new ATOM 0 HG21 ILE A 85 0.901 0.996 -20.459 1.00 65.23 H new ATOM 0 HG22 ILE A 85 0.973 1.208 -18.693 1.00 65.23 H new ATOM 0 HG23 ILE A 85 0.713 -0.411 -19.385 1.00 65.23 H new ATOM 0 HD11 ILE A 85 -2.071 -1.798 -21.415 1.00 73.43 H new ATOM 0 HD12 ILE A 85 -0.515 -1.638 -20.565 1.00 73.43 H new ATOM 0 HD13 ILE A 85 -2.033 -1.704 -19.638 1.00 73.43 H new